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

Systemtic Name: [2-(3-acetamido-4-methylsulfanyl-phenyl)-2-oxidanylidene-ethyl] 2-[(3,4-dichlorophenyl)carbonylamino]ethanoate Openeye Name: [2-(3-acetamido-4-methylsulfanyl-phenyl)-2-oxo-ethyl] 2-[(3,4-dichlorobenzoyl)amino]acetate CAS Name: 2-[[(3,4-dichlorophenyl)-oxomethyl]amino]acetic acid [2-[3-acetamido-4-(methylthio)phenyl]-2-oxoethyl] ester IUPAC Name: [2-(3-acetamido-4-methylsulfanylphenyl)-2-oxoethyl] 2-[(3,4-dichlorobenzoyl)amino]acetate Traditional Name: 2-[(3,4-dichlorobenzoyl)amino]acetic acid [2-[3-acetamido-4-(methylthio)phenyl]-2-keto-ethyl] ester Formula: C20H18Cl2N2O5S MolecularWeight: 469.33832

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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(=C(C=C2)Cl)Cl)SC

Isomeric SMILES

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

InChI

InChI=1S/C20H18Cl2N2O5S/c1-11(25)24-16-8-12(4-6-18(16)30-2)17(26)10-29-19(27)9-23-20(28)13-3-5-14(21)15(22)7-13/h3-8H,9-10H2,1-2H3,(H,23,28)(H,24,25)