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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=CC=CC=C1)C(=O)CSC2=NC(=C(C=C2C#N)C(=O)OCC)C

Isomeric SMILES

CCN(CC1=CC=CC=C1)C(=O)CSC2=NC(=C(C=C2C#N)C(=O)OCC)C

InChI

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