ethyl (Z)-2-cyano-3-[1-(3-methylsulfanylphenyl)pyrrol-2-yl]prop-2-enoate

Systemtic Name: ethyl (Z)-2-cyano-3-[1-(3-methylsulfanylphenyl)pyrrol-2-yl]prop-2-enoate Openeye Name: ethyl (Z)-2-cyano-3-[1-(3-methylsulfanylphenyl)pyrrol-2-yl]prop-2-enoate CAS Name: (Z)-2-cyano-3-[1-[3-(methylthio)phenyl]-2-pyrrolyl]-2-propenoic acid ethyl ester IUPAC Name: ethyl (Z)-2-cyano-3-[1-(3-methylsulfanylphenyl)pyrrol-2-yl]prop-2-enoate Traditional Name: (Z)-2-cyano-3-[1-[3-(methylthio)phenyl]pyrrol-2-yl]acrylic acid ethyl ester Formula: C17H16N2O2S MolecularWeight: 312.38614

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=CC1=CC=CN1C2=CC(=CC=C2)SC)C#N

Isomeric SMILES

CCOC(=O)/C(=C\C1=CC=CN1C2=CC(=CC=C2)SC)/C#N

InChI

InChI=1S/C17H16N2O2S/c1-3-21-17(20)13(12-18)10-14-7-5-9-19(14)15-6-4-8-16(11-15)22-2/h4-11H,3H2,1-2H3/b13-10-