[2-(1-ethyl-2,5-dimethyl-pyrrol-3-yl)-2-oxidanylidene-ethyl] 2-[(3-cyano-4-methyl-6-oxidanylidene-1H-pyridin-2-yl)sulfanyl]ethanoate

Systemtic Name: [2-(1-ethyl-2,5-dimethyl-pyrrol-3-yl)-2-oxidanylidene-ethyl] 2-[(3-cyano-4-methyl-6-oxidanylidene-1H-pyridin-2-yl)sulfanyl]ethanoate Openeye Name: [2-(1-ethyl-2,5-dimethyl-pyrrol-3-yl)-2-oxo-ethyl] 2-[(3-cyano-4-methyl-6-oxo-1H-pyridin-2-yl)sulfanyl]acetate CAS Name: 2-[(3-cyano-4-methyl-6-oxo-1H-pyridin-2-yl)thio]acetic acid [2-(1-ethyl-2,5-dimethyl-3-pyrrolyl)-2-oxoethyl] ester IUPAC Name: [2-(1-ethyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl] 2-[(3-cyano-4-methyl-6-oxo-1H-pyridin-2-yl)sulfanyl]acetate Traditional Name: 2-[(3-cyano-6-keto-4-methyl-1H-pyridin-2-yl)thio]acetic acid [2-(1-ethyl-2,5-dimethyl-pyrrol-3-yl)-2-keto-ethyl] ester Formula: C19H21N3O4S MolecularWeight: 387.45274

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=CC(=C1C)C(=O)COC(=O)CSC2=C(C(=CC(=O)N2)C)C#N)C

Isomeric SMILES

CCN1C(=CC(=C1C)C(=O)COC(=O)CSC2=C(C(=CC(=O)N2)C)C#N)C

InChI

InChI=1S/C19H21N3O4S/c1-5-22-12(3)7-14(13(22)4)16(23)9-26-18(25)10-27-19-15(8-20)11(2)6-17(24)21-19/h6-7H,5,9-10H2,1-4H3,(H,21,24)