methyl 4-acetamido-3-(2-azanyl-2-oxidanylidene-1-phenylsulfanyl-ethyl)benzoate

Systemtic Name: methyl 4-acetamido-3-(2-azanyl-2-oxidanylidene-1-phenylsulfanyl-ethyl)benzoate Openeye Name: methyl 4-acetamido-3-(2-amino-2-oxo-1-phenylsulfanyl-ethyl)benzoate CAS Name: 4-acetamido-3-[2-amino-2-oxo-1-(phenylthio)ethyl]benzoic acid methyl ester IUPAC Name: methyl 4-acetamido-3-(2-amino-2-oxo-1-phenylsulfanylethyl)benzoate Traditional Name: 4-acetamido-3-[2-amino-2-keto-1-(phenylthio)ethyl]benzoic acid methyl ester Formula: C18H18N2O4S MolecularWeight: 358.41152

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=C(C=C(C=C1)C(=O)OC)C(C(=O)N)SC2=CC=CC=C2

Isomeric SMILES

CC(=O)NC1=C(C=C(C=C1)C(=O)OC)C(C(=O)N)SC2=CC=CC=C2

InChI

InChI=1S/C18H18N2O4S/c1-11(21)20-15-9-8-12(18(23)24-2)10-14(15)16(17(19)22)25-13-6-4-3-5-7-13/h3-10,16H,1-2H3,(H2,19,22)(H,20,21)