(diphenylmethyl) 3,4-dimethylidene-8-oxidanylidene-7-(2-thiophen-2-ylethanoylamino)-5-thia-1-azabicyclo[4.2.0]octane-2-carboxylate

Systemtic Name: (diphenylmethyl) 3,4-dimethylidene-8-oxidanylidene-7-(2-thiophen-2-ylethanoylamino)-5-thia-1-azabicyclo[4.2.0]octane-2-carboxylate Openeye Name: benzhydryl 3,4-dimethylene-8-oxo-7-[[2-(2-thienyl)acetyl]amino]-5-thia-1-azabicyclo[4.2.0]octane-2-carboxylate CAS Name: 3,4-dimethylene-8-oxo-7-[(1-oxo-2-thiophen-2-ylethyl)amino]-5-thia-1-azabicyclo[4.2.0]octane-2-carboxylic acid (diphenylmethyl) ester IUPAC Name: benzhydryl 3,4-dimethylidene-8-oxo-7-[(2-thiophen-2-ylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]octane-2-carboxylate Traditional Name: 8-keto-3,4-dimethylene-7-[[2-(2-thienyl)acetyl]amino]-5-thia-1-azabicyclo[4.2.0]octane-2-carboxylic acid benzhydryl ester Formula: C28H24N2O4S2 MolecularWeight: 516.63116

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Descriptors Computed from Structure

Canonical SMILES:

C=C1C(N2C(C(C2=O)NC(=O)CC3=CC=CS3)SC1=C)C(=O)OC(C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

C=C1C(N2C(C(C2=O)NC(=O)CC3=CC=CS3)SC1=C)C(=O)OC(C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C28H24N2O4S2/c1-17-18(2)36-27-23(29-22(31)16-21-14-9-15-35-21)26(32)30(27)24(17)28(33)34-25(19-10-5-3-6-11-19)20-12-7-4-8-13-20/h3-15,23-25,27H,1-2,16H2,(H,29,31)