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

Systemtic Name: ethyl 5-cyano-2-methyl-6-[2-oxidanylidene-2-[(phenylmethyl)-propan-2-yl-amino]ethyl]sulfanyl-pyridine-3-carboxylate Openeye Name: ethyl 6-[2-[benzyl(isopropyl)amino]-2-oxo-ethyl]sulfanyl-5-cyano-2-methyl-pyridine-3-carboxylate CAS Name: 5-cyano-2-methyl-6-[[2-oxo-2-[(phenylmethyl)-propan-2-ylamino]ethyl]thio]-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 6-[2-[benzyl(propan-2-yl)amino]-2-oxoethyl]sulfanyl-5-cyano-2-methylpyridine-3-carboxylate Traditional Name: 6-[[2-[benzyl(isopropyl)amino]-2-keto-ethyl]thio]-5-cyano-2-methyl-nicotinic acid ethyl ester Formula: C22H25N3O3S MolecularWeight: 411.5172

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25N3O3S/c1-5-28-22(27)19-11-18(12-23)21(24-16(19)4)29-14-20(26)25(15(2)3)13-17-9-7-6-8-10-17/h6-11,15H,5,13-14H2,1-4H3