[2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]-2-oxidanylidene-ethyl] (Z)-2-acetamido-3-phenyl-prop-2-enoate

Systemtic Name: [2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]-2-oxidanylidene-ethyl] (Z)-2-acetamido-3-phenyl-prop-2-enoate Openeye Name: [2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]-2-oxo-ethyl] (Z)-2-acetamido-3-phenyl-prop-2-enoate CAS Name: (Z)-2-acetamido-3-phenyl-2-propenoic acid [2-[methyl-[[4-(methylthio)phenyl]methyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]-2-oxoethyl] (Z)-2-acetamido-3-phenylprop-2-enoate Traditional Name: (Z)-2-acetamido-3-phenyl-acrylic acid [2-keto-2-[methyl-[4-(methylthio)benzyl]amino]ethyl] ester Formula: C22H24N2O4S MolecularWeight: 412.50196

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(=CC1=CC=CC=C1)C(=O)OCC(=O)N(C)CC2=CC=C(C=C2)SC

Isomeric SMILES

CC(=O)N/C(=C\C1=CC=CC=C1)/C(=O)OCC(=O)N(C)CC2=CC=C(C=C2)SC

InChI

InChI=1S/C22H24N2O4S/c1-16(25)23-20(13-17-7-5-4-6-8-17)22(27)28-15-21(26)24(2)14-18-9-11-19(29-3)12-10-18/h4-13H,14-15H2,1-3H3,(H,23,25)/b20-13-