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

Systemtic Name: [2-(2-methylpropanoylamino)-2-oxidanylidene-ethyl] (E)-3-(4-methylsulfanylphenyl)prop-2-enoate Openeye Name: [2-(2-methylpropanoylamino)-2-oxo-ethyl] (E)-3-(4-methylsulfanylphenyl)prop-2-enoate CAS Name: (E)-3-[4-(methylthio)phenyl]-2-propenoic acid [2-[(2-methyl-1-oxopropyl)amino]-2-oxoethyl] ester IUPAC Name: [2-(2-methylpropanoylamino)-2-oxoethyl] (E)-3-(4-methylsulfanylphenyl)prop-2-enoate Traditional Name: (E)-3-[4-(methylthio)phenyl]acrylic acid [2-(isobutyrylamino)-2-keto-ethyl] ester Formula: C16H19NO4S MolecularWeight: 321.39136

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)NC(=O)COC(=O)C=CC1=CC=C(C=C1)SC

Isomeric SMILES

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

InChI

InChI=1S/C16H19NO4S/c1-11(2)16(20)17-14(18)10-21-15(19)9-6-12-4-7-13(22-3)8-5-12/h4-9,11H,10H2,1-3H3,(H,17,18,20)/b9-6+