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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC(=C1NC(=O)CSC2=NC(=C(C=C2C#N)C(=O)OCC)C)C

Isomeric SMILES

CCC1=CC=CC(=C1NC(=O)CSC2=NC(=C(C=C2C#N)C(=O)OCC)C)C

InChI

InChI=1S/C21H23N3O3S/c1-5-15-9-7-8-13(3)19(15)24-18(25)12-28-20-16(11-22)10-17(14(4)23-20)21(26)27-6-2/h7-10H,5-6,12H2,1-4H3,(H,24,25)