2-(diphenylmethyl)oxycarbonyl-8-oxidanylidene-7-(2-thiophen-2-ylethanoylamino)-5-thia-1-azabicyclo[4.2.0]oct-3-ene-3-carboxylic acid

Systemtic Name: 2-(diphenylmethyl)oxycarbonyl-8-oxidanylidene-7-(2-thiophen-2-ylethanoylamino)-5-thia-1-azabicyclo[4.2.0]oct-3-ene-3-carboxylic acid Openeye Name: 2-benzhydryloxycarbonyl-8-oxo-7-[[2-(2-thienyl)acetyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-3-ene-3-carboxylic acid CAS Name: 2-[(diphenylmethyl)oxy-oxomethyl]-8-oxo-7-[(1-oxo-2-thiophen-2-ylethyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-3-ene-3-carboxylic acid IUPAC Name: 2-benzhydryloxycarbonyl-8-oxo-7-[(2-thiophen-2-ylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-3-ene-3-carboxylic acid Traditional Name: 2-benzhydryloxycarbonyl-8-keto-7-[[2-(2-thienyl)acetyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-3-ene-3-carboxylic acid Formula: C27H22N2O6S2 MolecularWeight: 534.60338

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C2=CC=CC=C2)OC(=O)C3C(=CSC4N3C(=O)C4NC(=O)CC5=CC=CS5)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C(C2=CC=CC=C2)OC(=O)C3C(=CSC4N3C(=O)C4NC(=O)CC5=CC=CS5)C(=O)O

InChI

InChI=1S/C27H22N2O6S2/c30-20(14-18-12-7-13-36-18)28-21-24(31)29-22(19(26(32)33)15-37-25(21)29)27(34)35-23(16-8-3-1-4-9-16)17-10-5-2-6-11-17/h1-13,15,21-23,25H,14H2,(H,28,30)(H,32,33)