(phenylmethyl) 3-(4-acetamidophenyl)sulfanyl-7-oxidanylidene-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate

Systemtic Name: (phenylmethyl) 3-(4-acetamidophenyl)sulfanyl-7-oxidanylidene-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Openeye Name: benzyl 3-(4-acetamidophenyl)sulfanyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate CAS Name: 3-[(4-acetamidophenyl)thio]-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 3-(4-acetamidophenyl)sulfanyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Traditional Name: 3-[(4-acetamidophenyl)thio]-7-keto-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid benzyl ester Formula: C22H20N2O4S MolecularWeight: 408.4702

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)SC2=C(N3C(C2)CC3=O)C(=O)OCC4=CC=CC=C4

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)SC2=C(N3C(C2)CC3=O)C(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C22H20N2O4S/c1-14(25)23-16-7-9-18(10-8-16)29-19-11-17-12-20(26)24(17)21(19)22(27)28-13-15-5-3-2-4-6-15/h2-10,17H,11-13H2,1H3,(H,23,25)