methyl (Z)-3-(benzenecarbonothioylamino)-2-cyano-3-methylsulfanyl-prop-2-enoate

Systemtic Name: methyl (Z)-3-(benzenecarbonothioylamino)-2-cyano-3-methylsulfanyl-prop-2-enoate Openeye Name: methyl (Z)-3-(benzenecarbonothioylamino)-2-cyano-3-methylsulfanyl-prop-2-enoate CAS Name: (Z)-3-(benzenecarbonothioylamino)-2-cyano-3-(methylthio)-2-propenoic acid methyl ester IUPAC Name: methyl (Z)-3-(benzenecarbonothioylamino)-2-cyano-3-methylsulfanylprop-2-enoate Traditional Name: (Z)-3-(benzenecarbonothioylamino)-2-cyano-3-(methylthio)acrylic acid methyl ester Formula: C13H12N2O2S2 MolecularWeight: 292.37658

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(=C(NC(=S)C1=CC=CC=C1)SC)C#N

Isomeric SMILES

COC(=O)/C(=C(/NC(=S)C1=CC=CC=C1)\SC)/C#N

InChI

InChI=1S/C13H12N2O2S2/c1-17-13(16)10(8-14)12(19-2)15-11(18)9-6-4-3-5-7-9/h3-7H,1-2H3,(H,15,18)/b12-10-