[2-[(3-acetamidophenyl)amino]-2-oxidanylidene-ethyl] (E)-3-(4-methylsulfanylphenyl)prop-2-enoate

Systemtic Name: [2-[(3-acetamidophenyl)amino]-2-oxidanylidene-ethyl] (E)-3-(4-methylsulfanylphenyl)prop-2-enoate Openeye Name: [2-(3-acetamidoanilino)-2-oxo-ethyl] (E)-3-(4-methylsulfanylphenyl)prop-2-enoate CAS Name: (E)-3-[4-(methylthio)phenyl]-2-propenoic acid [2-(3-acetamidoanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-acetamidoanilino)-2-oxoethyl] (E)-3-(4-methylsulfanylphenyl)prop-2-enoate Traditional Name: (E)-3-[4-(methylthio)phenyl]acrylic acid [2-(3-acetamidoanilino)-2-keto-ethyl] ester Formula: C20H20N2O4S MolecularWeight: 384.4488

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20N2O4S/c1-14(23)21-16-4-3-5-17(12-16)22-19(24)13-26-20(25)11-8-15-6-9-18(27-2)10-7-15/h3-12H,13H2,1-2H3,(H,21,23)(H,22,24)/b11-8+