8-oxidanylidene-3-[(E)-2-[4-oxidanylidene-7-(trifluoromethyl)thiochromen-2-yl]sulfanylethenyl]-7-(2-thiophen-2-ylethanoylamino)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Systemtic Name: 8-oxidanylidene-3-[(E)-2-[4-oxidanylidene-7-(trifluoromethyl)thiochromen-2-yl]sulfanylethenyl]-7-(2-thiophen-2-ylethanoylamino)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: 8-oxo-3-[(E)-2-[4-oxo-7-(trifluoromethyl)thiochromen-2-yl]sulfanylvinyl]-7-[[2-(2-thienyl)acetyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: 8-oxo-7-[(1-oxo-2-thiophen-2-ylethyl)amino]-3-[(E)-2-[[4-oxo-7-(trifluoromethyl)-1-benzothiopyran-2-yl]thio]ethenyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: 8-oxo-3-[(E)-2-[4-oxo-7-(trifluoromethyl)thiochromen-2-yl]sulfanylethenyl]-7-[(2-thiophen-2-ylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: 8-keto-3-[(E)-2-[[4-keto-7-(trifluoromethyl)thiochromen-2-yl]thio]vinyl]-7-[[2-(2-thienyl)acetyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C25H17F3N2O5S4 MolecularWeight: 610.66809

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=C(N2C(S1)C(C2=O)NC(=O)CC3=CC=CS3)C(=O)O)C=CSC4=CC(=O)C5=C(S4)C=C(C=C5)C(F)(F)F

Isomeric SMILES

C1C(=C(N2C(S1)C(C2=O)NC(=O)CC3=CC=CS3)C(=O)O)/C=C/SC4=CC(=O)C5=C(S4)C=C(C=C5)C(F)(F)F

InChI

InChI=1S/C25H17F3N2O5S4/c26-25(27,28)13-3-4-15-16(31)10-19(39-17(15)8-13)37-7-5-12-11-38-23-20(22(33)30(23)21(12)24(34)35)29-18(32)9-14-2-1-6-36-14/h1-8,10,20,23H,9,11H2,(H,29,32)(H,34,35)/b7-5+