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

Systemtic Name: [2-(methylamino)-2-oxidanylidene-ethyl] (E)-3-phenylsulfanylprop-2-enoate Openeye Name: [2-(methylamino)-2-oxo-ethyl] (E)-3-phenylsulfanylprop-2-enoate CAS Name: (E)-3-(phenylthio)-2-propenoic acid [2-(methylamino)-2-oxoethyl] ester IUPAC Name: [2-(methylamino)-2-oxoethyl] (E)-3-phenylsulfanylprop-2-enoate Traditional Name: (E)-3-(phenylthio)acrylic acid [2-keto-2-(methylamino)ethyl] ester Formula: C12H13NO3S MolecularWeight: 251.30152

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H13NO3S/c1-13-11(14)9-16-12(15)7-8-17-10-5-3-2-4-6-10/h2-8H,9H2,1H3,(H,13,14)/b8-7+