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

Systemtic Name: ethyl 5-cyano-6-[2-[1-(3-methoxypropyl)-2,5-dimethyl-pyrrol-3-yl]-2-oxidanylidene-ethyl]sulfanyl-2-methyl-pyridine-3-carboxylate Openeye Name: ethyl 5-cyano-6-[2-[1-(3-methoxypropyl)-2,5-dimethyl-pyrrol-3-yl]-2-oxo-ethyl]sulfanyl-2-methyl-pyridine-3-carboxylate CAS Name: 5-cyano-6-[[2-[1-(3-methoxypropyl)-2,5-dimethyl-3-pyrrolyl]-2-oxoethyl]thio]-2-methyl-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 5-cyano-6-[2-[1-(3-methoxypropyl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl]sulfanyl-2-methylpyridine-3-carboxylate Traditional Name: 5-cyano-6-[[2-keto-2-[1-(3-methoxypropyl)-2,5-dimethyl-pyrrol-3-yl]ethyl]thio]-2-methyl-nicotinic acid ethyl ester Formula: C22H27N3O4S MolecularWeight: 429.53248

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=C(C(=C1)C#N)SCC(=O)C2=C(N(C(=C2)C)CCCOC)C)C

Isomeric SMILES

CCOC(=O)C1=C(N=C(C(=C1)C#N)SCC(=O)C2=C(N(C(=C2)C)CCCOC)C)C

InChI

InChI=1S/C22H27N3O4S/c1-6-29-22(27)18-11-17(12-23)21(24-15(18)3)30-13-20(26)19-10-14(2)25(16(19)4)8-7-9-28-5/h10-11H,6-9,13H2,1-5H3