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

Systemtic Name: ethyl 5-cyano-2-methyl-6-[2-[(2-methylphenyl)methylamino]-2-oxidanylidene-ethyl]sulfanyl-pyridine-3-carboxylate Openeye Name: ethyl 5-cyano-2-methyl-6-[2-(o-tolylmethylamino)-2-oxo-ethyl]sulfanyl-pyridine-3-carboxylate CAS Name: 5-cyano-2-methyl-6-[[2-[(2-methylphenyl)methylamino]-2-oxoethyl]thio]-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 5-cyano-2-methyl-6-[2-[(2-methylphenyl)methylamino]-2-oxoethyl]sulfanylpyridine-3-carboxylate Traditional Name: 5-cyano-6-[[2-keto-2-[(2-methylbenzyl)amino]ethyl]thio]-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)NCC2=CC=CC=C2C)C

Isomeric SMILES

CCOC(=O)C1=C(N=C(C(=C1)C#N)SCC(=O)NCC2=CC=CC=C2C)C

InChI

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