methyl (Z)-2-cyano-3-(ethanethioylamino)-3-phenyl-prop-2-enoate

Systemtic Name: methyl (Z)-2-cyano-3-(ethanethioylamino)-3-phenyl-prop-2-enoate Openeye Name: methyl (Z)-2-cyano-3-(ethanethioylamino)-3-phenyl-prop-2-enoate CAS Name: (Z)-2-cyano-3-phenyl-3-(1-sulfanylideneethylamino)-2-propenoic acid methyl ester IUPAC Name: methyl (Z)-2-cyano-3-(ethanethioylamino)-3-phenylprop-2-enoate Traditional Name: (Z)-2-cyano-3-phenyl-3-(thioacetylamino)acrylic acid methyl ester Formula: C13H12N2O2S MolecularWeight: 260.31158

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Descriptors Computed from Structure

Canonical SMILES:

CC(=S)NC(=C(C#N)C(=O)OC)C1=CC=CC=C1

Isomeric SMILES

CC(=S)N/C(=C(/C#N)\C(=O)OC)/C1=CC=CC=C1

InChI

InChI=1S/C13H12N2O2S/c1-9(18)15-12(10-6-4-3-5-7-10)11(8-14)13(16)17-2/h3-7H,1-2H3,(H,15,18)/b12-11-