methyl (E)-2-cyano-3-(2-cyano-1-methyl-indol-3-yl)-3-methylsulfanyl-prop-2-enoate

Systemtic Name: methyl (E)-2-cyano-3-(2-cyano-1-methyl-indol-3-yl)-3-methylsulfanyl-prop-2-enoate Openeye Name: methyl (E)-2-cyano-3-(2-cyano-1-methyl-indol-3-yl)-3-methylsulfanyl-prop-2-enoate CAS Name: (E)-2-cyano-3-(2-cyano-1-methyl-3-indolyl)-3-(methylthio)-2-propenoic acid methyl ester IUPAC Name: methyl (E)-2-cyano-3-(2-cyano-1-methylindol-3-yl)-3-methylsulfanylprop-2-enoate Traditional Name: (E)-2-cyano-3-(2-cyano-1-methyl-indol-3-yl)-3-(methylthio)acrylic acid methyl ester Formula: C16H13N3O2S MolecularWeight: 311.35832

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2C(=C1C#N)C(=C(C#N)C(=O)OC)SC

Isomeric SMILES

CN1C2=CC=CC=C2C(=C1C#N)/C(=C(/C#N)\C(=O)OC)/SC

InChI

InChI=1S/C16H13N3O2S/c1-19-12-7-5-4-6-10(12)14(13(19)9-18)15(22-3)11(8-17)16(20)21-2/h4-7H,1-3H3/b15-11+