[2-(3-acetamido-4-methylsulfanyl-phenyl)-2-oxidanylidene-ethyl] (E)-3-(3,4-dichlorophenyl)prop-2-enoate

Systemtic Name: [2-(3-acetamido-4-methylsulfanyl-phenyl)-2-oxidanylidene-ethyl] (E)-3-(3,4-dichlorophenyl)prop-2-enoate Openeye Name: [2-(3-acetamido-4-methylsulfanyl-phenyl)-2-oxo-ethyl] (E)-3-(3,4-dichlorophenyl)prop-2-enoate CAS Name: (E)-3-(3,4-dichlorophenyl)-2-propenoic acid [2-[3-acetamido-4-(methylthio)phenyl]-2-oxoethyl] ester IUPAC Name: [2-(3-acetamido-4-methylsulfanylphenyl)-2-oxoethyl] (E)-3-(3,4-dichlorophenyl)prop-2-enoate Traditional Name: (E)-3-(3,4-dichlorophenyl)acrylic acid [2-[3-acetamido-4-(methylthio)phenyl]-2-keto-ethyl] ester Formula: C20H17Cl2NO4S MolecularWeight: 438.32428

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=C(C=CC(=C1)C(=O)COC(=O)C=CC2=CC(=C(C=C2)Cl)Cl)SC

Isomeric SMILES

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

InChI

InChI=1S/C20H17Cl2NO4S/c1-12(24)23-17-10-14(5-7-19(17)28-2)18(25)11-27-20(26)8-4-13-3-6-15(21)16(22)9-13/h3-10H,11H2,1-2H3,(H,23,24)/b8-4+