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

Systemtic Name: ethyl 5-cyano-2-methyl-6-[2-[methyl-(phenylmethyl)amino]-2-oxidanylidene-ethyl]sulfanyl-pyridine-3-carboxylate Openeye Name: ethyl 6-[2-[benzyl(methyl)amino]-2-oxo-ethyl]sulfanyl-5-cyano-2-methyl-pyridine-3-carboxylate CAS Name: 5-cyano-2-methyl-6-[[2-[methyl-(phenylmethyl)amino]-2-oxoethyl]thio]-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 6-[2-[benzyl(methyl)amino]-2-oxoethyl]sulfanyl-5-cyano-2-methylpyridine-3-carboxylate Traditional Name: 6-[[2-[benzyl(methyl)amino]-2-keto-ethyl]thio]-5-cyano-2-methyl-nicotinic acid ethyl ester Formula: C20H21N3O3S MolecularWeight: 383.46404

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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=C2)C

Isomeric SMILES

CCOC(=O)C1=C(N=C(C(=C1)C#N)SCC(=O)N(C)CC2=CC=CC=C2)C

InChI

InChI=1S/C20H21N3O3S/c1-4-26-20(25)17-10-16(11-21)19(22-14(17)2)27-13-18(24)23(3)12-15-8-6-5-7-9-15/h5-10H,4,12-13H2,1-3H3