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

Systemtic Name: ethyl 5-cyano-2-methyl-6-[2-[methyl-[(2-methylphenyl)methyl]amino]-2-oxidanylidene-ethyl]sulfanyl-pyridine-3-carboxylate Openeye Name: ethyl 5-cyano-2-methyl-6-[2-[methyl(o-tolylmethyl)amino]-2-oxo-ethyl]sulfanyl-pyridine-3-carboxylate CAS Name: 5-cyano-2-methyl-6-[[2-[methyl-[(2-methylphenyl)methyl]amino]-2-oxoethyl]thio]-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 5-cyano-2-methyl-6-[2-[methyl-[(2-methylphenyl)methyl]amino]-2-oxoethyl]sulfanylpyridine-3-carboxylate Traditional Name: 5-cyano-6-[[2-keto-2-[methyl-(2-methylbenzyl)amino]ethyl]thio]-2-methyl-nicotinic acid ethyl ester Formula: C21H23N3O3S MolecularWeight: 397.49062

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=C(C(=C1)C#N)SCC(=O)N(C)CC2=CC=CC=C2C)C

Isomeric SMILES

CCOC(=O)C1=C(N=C(C(=C1)C#N)SCC(=O)N(C)CC2=CC=CC=C2C)C

InChI

InChI=1S/C21H23N3O3S/c1-5-27-21(26)18-10-17(11-22)20(23-15(18)3)28-13-19(25)24(4)12-16-9-7-6-8-14(16)2/h6-10H,5,12-13H2,1-4H3