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

Systemtic Name: (phenylmethyl) 3-(4-aminophenyl)sulfanyl-7-oxidanylidene-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Openeye Name: benzyl 3-(4-aminophenyl)sulfanyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate CAS Name: 3-[(4-aminophenyl)thio]-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 3-(4-aminophenyl)sulfanyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Traditional Name: 3-[(4-aminophenyl)thio]-7-keto-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid benzyl ester Formula: C20H18N2O3S MolecularWeight: 366.43352

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC(=O)N2C(=C1SC3=CC=C(C=C3)N)C(=O)OCC4=CC=CC=C4

Isomeric SMILES

C1C2CC(=O)N2C(=C1SC3=CC=C(C=C3)N)C(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C20H18N2O3S/c21-14-6-8-16(9-7-14)26-17-10-15-11-18(23)22(15)19(17)20(24)25-12-13-4-2-1-3-5-13/h1-9,15H,10-12,21H2