ethyl 5-cyano-6-(3,3-dimethyl-2-oxidanylidene-butyl)sulfanyl-4-(4-ethoxycarbonylphenyl)-2-methyl-pyridine-3-carboxylate

Systemtic Name: ethyl 5-cyano-6-(3,3-dimethyl-2-oxidanylidene-butyl)sulfanyl-4-(4-ethoxycarbonylphenyl)-2-methyl-pyridine-3-carboxylate Openeye Name: ethyl 5-cyano-6-(3,3-dimethyl-2-oxo-butyl)sulfanyl-4-(4-ethoxycarbonylphenyl)-2-methyl-pyridine-3-carboxylate CAS Name: 5-cyano-6-[(3,3-dimethyl-2-oxobutyl)thio]-4-(4-ethoxycarbonylphenyl)-2-methyl-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 5-cyano-6-(3,3-dimethyl-2-oxobutyl)sulfanyl-4-(4-ethoxycarbonylphenyl)-2-methylpyridine-3-carboxylate Traditional Name: 4-(4-carbethoxyphenyl)-5-cyano-6-[(2-keto-3,3-dimethyl-butyl)thio]-2-methyl-nicotinic acid ethyl ester Formula: C25H28N2O5S MolecularWeight: 468.56522

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)C2=C(C(=NC(=C2C(=O)OCC)C)SCC(=O)C(C)(C)C)C#N

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)C2=C(C(=NC(=C2C(=O)OCC)C)SCC(=O)C(C)(C)C)C#N

InChI

InChI=1S/C25H28N2O5S/c1-7-31-23(29)17-11-9-16(10-12-17)21-18(13-26)22(33-14-19(28)25(4,5)6)27-15(3)20(21)24(30)32-8-2/h9-12H,7-8,14H2,1-6H3