[2-(2-methylpropylcarbamoylamino)-2-oxidanylidene-ethyl] (E)-3-phenylsulfanylprop-2-enoate

Systemtic Name: [2-(2-methylpropylcarbamoylamino)-2-oxidanylidene-ethyl] (E)-3-phenylsulfanylprop-2-enoate Openeye Name: [2-(isobutylcarbamoylamino)-2-oxo-ethyl] (E)-3-phenylsulfanylprop-2-enoate CAS Name: (E)-3-(phenylthio)-2-propenoic acid [2-[[(2-methylpropylamino)-oxomethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-(2-methylpropylcarbamoylamino)-2-oxoethyl] (E)-3-phenylsulfanylprop-2-enoate Traditional Name: (E)-3-(phenylthio)acrylic acid [2-(isobutylcarbamoylamino)-2-keto-ethyl] ester Formula: C16H20N2O4S MolecularWeight: 336.406

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC(=O)NC(=O)COC(=O)C=CSC1=CC=CC=C1

Isomeric SMILES

CC(C)CNC(=O)NC(=O)COC(=O)/C=C/SC1=CC=CC=C1

InChI

InChI=1S/C16H20N2O4S/c1-12(2)10-17-16(21)18-14(19)11-22-15(20)8-9-23-13-6-4-3-5-7-13/h3-9,12H,10-11H2,1-2H3,(H2,17,18,19,21)/b9-8+