methyl (E)-2-cyano-3-(1-methyl-5-phenylsulfanyl-pyrrol-2-yl)prop-2-enoate

Systemtic Name: methyl (E)-2-cyano-3-(1-methyl-5-phenylsulfanyl-pyrrol-2-yl)prop-2-enoate Openeye Name: methyl (E)-2-cyano-3-(1-methyl-5-phenylsulfanyl-pyrrol-2-yl)prop-2-enoate CAS Name: (E)-2-cyano-3-[1-methyl-5-(phenylthio)-2-pyrrolyl]-2-propenoic acid methyl ester IUPAC Name: methyl (E)-2-cyano-3-(1-methyl-5-phenylsulfanylpyrrol-2-yl)prop-2-enoate Traditional Name: (E)-2-cyano-3-[1-methyl-5-(phenylthio)pyrrol-2-yl]acrylic acid methyl ester Formula: C16H14N2O2S MolecularWeight: 298.35956

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=CC=C1SC2=CC=CC=C2)C=C(C#N)C(=O)OC

Isomeric SMILES

CN1C(=CC=C1SC2=CC=CC=C2)/C=C(\C#N)/C(=O)OC

InChI

InChI=1S/C16H14N2O2S/c1-18-13(10-12(11-17)16(19)20-2)8-9-15(18)21-14-6-4-3-5-7-14/h3-10H,1-2H3/b12-10+