ethyl 5-cyano-2-methyl-6-[2-[(4-methylphenyl)methyl-propyl-amino]-2-oxidanylidene-ethyl]sulfanyl-pyridine-3-carboxylate

Systemtic Name: ethyl 5-cyano-2-methyl-6-[2-[(4-methylphenyl)methyl-propyl-amino]-2-oxidanylidene-ethyl]sulfanyl-pyridine-3-carboxylate Openeye Name: ethyl 5-cyano-2-methyl-6-[2-oxo-2-[propyl(p-tolylmethyl)amino]ethyl]sulfanyl-pyridine-3-carboxylate CAS Name: 5-cyano-2-methyl-6-[[2-[(4-methylphenyl)methyl-propylamino]-2-oxoethyl]thio]-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 5-cyano-2-methyl-6-[2-[(4-methylphenyl)methyl-propylamino]-2-oxoethyl]sulfanylpyridine-3-carboxylate Traditional Name: 5-cyano-6-[[2-keto-2-[(4-methylbenzyl)-propyl-amino]ethyl]thio]-2-methyl-nicotinic acid ethyl ester Formula: C23H27N3O3S MolecularWeight: 425.54378

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCN(CC1=CC=C(C=C1)C)C(=O)CSC2=NC(=C(C=C2C#N)C(=O)OCC)C

Isomeric SMILES

CCCN(CC1=CC=C(C=C1)C)C(=O)CSC2=NC(=C(C=C2C#N)C(=O)OCC)C

InChI

InChI=1S/C23H27N3O3S/c1-5-11-26(14-18-9-7-16(3)8-10-18)21(27)15-30-22-19(13-24)12-20(17(4)25-22)23(28)29-6-2/h7-10,12H,5-6,11,14-15H2,1-4H3