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

Systemtic Name: ethyl 5-cyano-6-[2-[(2-methoxyphenyl)methyl-methyl-amino]-2-oxidanylidene-ethyl]sulfanyl-2-methyl-pyridine-3-carboxylate Openeye Name: ethyl 5-cyano-6-[2-[(2-methoxyphenyl)methyl-methyl-amino]-2-oxo-ethyl]sulfanyl-2-methyl-pyridine-3-carboxylate CAS Name: 5-cyano-6-[[2-[(2-methoxyphenyl)methyl-methylamino]-2-oxoethyl]thio]-2-methyl-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 5-cyano-6-[2-[(2-methoxyphenyl)methyl-methylamino]-2-oxoethyl]sulfanyl-2-methylpyridine-3-carboxylate Traditional Name: 5-cyano-6-[[2-keto-2-[methyl(o-anisyl)amino]ethyl]thio]-2-methyl-nicotinic acid ethyl ester Formula: C21H23N3O4S MolecularWeight: 413.49002

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=C(C(=C1)C#N)SCC(=O)N(C)CC2=CC=CC=C2OC)C

Isomeric SMILES

CCOC(=O)C1=C(N=C(C(=C1)C#N)SCC(=O)N(C)CC2=CC=CC=C2OC)C

InChI

InChI=1S/C21H23N3O4S/c1-5-28-21(26)17-10-16(11-22)20(23-14(17)2)29-13-19(25)24(3)12-15-8-6-7-9-18(15)27-4/h6-10H,5,12-13H2,1-4H3