methyl 5-cyano-1-[2-[2,5-dimethyl-1-(3-methylsulfanylphenyl)pyrrol-3-yl]-2-oxidanylidene-ethyl]-6-oxidanylidene-pyridine-3-carboxylate

Systemtic Name: methyl 5-cyano-1-[2-[2,5-dimethyl-1-(3-methylsulfanylphenyl)pyrrol-3-yl]-2-oxidanylidene-ethyl]-6-oxidanylidene-pyridine-3-carboxylate Openeye Name: methyl 5-cyano-1-[2-[2,5-dimethyl-1-(3-methylsulfanylphenyl)pyrrol-3-yl]-2-oxo-ethyl]-6-oxo-pyridine-3-carboxylate CAS Name: 5-cyano-1-[2-[2,5-dimethyl-1-[3-(methylthio)phenyl]-3-pyrrolyl]-2-oxoethyl]-6-oxo-3-pyridinecarboxylic acid methyl ester IUPAC Name: methyl 5-cyano-1-[2-[2,5-dimethyl-1-(3-methylsulfanylphenyl)pyrrol-3-yl]-2-oxoethyl]-6-oxopyridine-3-carboxylate Traditional Name: 5-cyano-1-[2-[2,5-dimethyl-1-[3-(methylthio)phenyl]pyrrol-3-yl]-2-keto-ethyl]-6-keto-nicotinic acid methyl ester Formula: C23H21N3O4S MolecularWeight: 435.49554

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC(=CC=C2)SC)C)C(=O)CN3C=C(C=C(C3=O)C#N)C(=O)OC

Isomeric SMILES

CC1=CC(=C(N1C2=CC(=CC=C2)SC)C)C(=O)CN3C=C(C=C(C3=O)C#N)C(=O)OC

InChI

InChI=1S/C23H21N3O4S/c1-14-8-20(15(2)26(14)18-6-5-7-19(10-18)31-4)21(27)13-25-12-17(23(29)30-3)9-16(11-24)22(25)28/h5-10,12H,13H2,1-4H3