[2-(3-acetamido-4-methylsulfanyl-phenyl)-2-oxidanylidene-ethyl] 2-[(2-methoxyphenyl)carbonylamino]ethanoate

Systemtic Name: [2-(3-acetamido-4-methylsulfanyl-phenyl)-2-oxidanylidene-ethyl] 2-[(2-methoxyphenyl)carbonylamino]ethanoate Openeye Name: [2-(3-acetamido-4-methylsulfanyl-phenyl)-2-oxo-ethyl] 2-[(2-methoxybenzoyl)amino]acetate CAS Name: 2-[[(2-methoxyphenyl)-oxomethyl]amino]acetic acid [2-[3-acetamido-4-(methylthio)phenyl]-2-oxoethyl] ester IUPAC Name: [2-(3-acetamido-4-methylsulfanylphenyl)-2-oxoethyl] 2-[(2-methoxybenzoyl)amino]acetate Traditional Name: 2-(o-anisoylamino)acetic acid [2-[3-acetamido-4-(methylthio)phenyl]-2-keto-ethyl] ester Formula: C21H22N2O6S MolecularWeight: 430.47418

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=C(C=CC(=C1)C(=O)COC(=O)CNC(=O)C2=CC=CC=C2OC)SC

Isomeric SMILES

CC(=O)NC1=C(C=CC(=C1)C(=O)COC(=O)CNC(=O)C2=CC=CC=C2OC)SC

InChI

InChI=1S/C21H22N2O6S/c1-13(24)23-16-10-14(8-9-19(16)30-3)17(25)12-29-20(26)11-22-21(27)15-6-4-5-7-18(15)28-2/h4-10H,11-12H2,1-3H3,(H,22,27)(H,23,24)