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

Systemtic Name: methyl (E)-2-cyano-3-(1-methyl-5-methylsulfanyl-pyrrol-2-yl)prop-2-enoate Openeye Name: methyl (E)-2-cyano-3-(1-methyl-5-methylsulfanyl-pyrrol-2-yl)prop-2-enoate CAS Name: (E)-2-cyano-3-[1-methyl-5-(methylthio)-2-pyrrolyl]-2-propenoic acid methyl ester IUPAC Name: methyl (E)-2-cyano-3-(1-methyl-5-methylsulfanylpyrrol-2-yl)prop-2-enoate Traditional Name: (E)-2-cyano-3-[1-methyl-5-(methylthio)pyrrol-2-yl]acrylic acid methyl ester Formula: C11H12N2O2S MolecularWeight: 236.29018

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=CC=C1SC)C=C(C#N)C(=O)OC

Isomeric SMILES

CN1C(=CC=C1SC)/C=C(\C#N)/C(=O)OC

InChI

InChI=1S/C11H12N2O2S/c1-13-9(4-5-10(13)16-3)6-8(7-12)11(14)15-2/h4-6H,1-3H3/b8-6+