3-[[6'-[[2-carboxy-8-oxidanylidene-7-(2-thiophen-2-ylethanoylamino)-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl]methoxy]-3-oxidanylidene-spiro[2-benzofuran-1,9'-xanthene]-3'-yl]oxymethyl]-8-oxidanylidene-7-(2-thiophen-2-ylethanoylamino)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Systemtic Name: 3-[[6'-[[2-carboxy-8-oxidanylidene-7-(2-thiophen-2-ylethanoylamino)-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl]methoxy]-3-oxidanylidene-spiro[2-benzofuran-1,9'-xanthene]-3'-yl]oxymethyl]-8-oxidanylidene-7-(2-thiophen-2-ylethanoylamino)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: 3-[[6'-[[2-carboxy-8-oxo-7-[[2-(2-thienyl)acetyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl]methoxy]-3-oxo-spiro[isobenzofuran-1,9'-xanthene]-3'-yl]oxymethyl]-8-oxo-7-[[2-(2-thienyl)acetyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: 3-[[6'-[[2-carboxy-8-oxo-7-[(1-oxo-2-thiophen-2-ylethyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl]methoxy]-3-oxo-3'-spiro[isobenzofuran-1,9'-xanthene]yl]oxymethyl]-8-oxo-7-[(1-oxo-2-thiophen-2-ylethyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: 3-[[6'-[[2-carboxy-8-oxo-7-[(2-thiophen-2-ylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl]methoxy]-3-oxospiro[2-benzofuran-1,9'-xanthene]-3'-yl]oxymethyl]-8-oxo-7-[(2-thiophen-2-ylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: 3-[[6'-[[2-carboxy-8-keto-7-[[2-(2-thienyl)acetyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl]methoxy]-3-keto-spiro[phthalan-1,9'-xanthene]-3'-yl]oxymethyl]-8-keto-7-[[2-(2-thienyl)acetyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C48H36N4O13S4 MolecularWeight: 1005.07844

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C(=C(N2C(S1)C(C2=O)NC(=O)CC3=CC=CS3)C(=O)O)COC4=CC5=C(C=C4)C6(C7=C(O5)C=C(C=C7)OCC8=C(N9C(C(C9=O)NC(=O)CC1=CC=CS1)SC8)C(=O)O)C1=CC=CC=C1C(=O)O6

Isomeric SMILES

C1C(=C(N2C(S1)C(C2=O)NC(=O)CC3=CC=CS3)C(=O)O)COC4=CC5=C(C=C4)C6(C7=C(O5)C=C(C=C7)OCC8=C(N9C(C(C9=O)NC(=O)CC1=CC=CS1)SC8)C(=O)O)C1=CC=CC=C1C(=O)O6

InChI

InChI=1S/C48H36N4O13S4/c53-35(17-27-5-3-13-66-27)49-37-41(55)51-39(45(57)58)23(21-68-43(37)51)19-62-25-9-11-31-33(15-25)64-34-16-26(10-12-32(34)48(31)30-8-2-1-7-29(30)47(61)65-48)63-20-24-22-69-44-38(42(56)52(44)40(24)46(59)60)50-36(54)18-28-6-4-14-67-28/h1-16,37-38,43-44H,17-22H2,(H,49,53)(H,50,54)(H,57,58)(H,59,60)