[2-[[2-[(2-methoxy-5-methyl-phenyl)amino]-2-oxidanylidene-ethyl]amino]-2-oxidanylidene-ethyl] 2-methylsulfanylpyridine-3-carboxylate

Systemtic Name: [2-[[2-[(2-methoxy-5-methyl-phenyl)amino]-2-oxidanylidene-ethyl]amino]-2-oxidanylidene-ethyl] 2-methylsulfanylpyridine-3-carboxylate Openeye Name: [2-[[2-(2-methoxy-5-methyl-anilino)-2-oxo-ethyl]amino]-2-oxo-ethyl] 2-methylsulfanylpyridine-3-carboxylate CAS Name: 2-(methylthio)-3-pyridinecarboxylic acid [2-[[2-(2-methoxy-5-methylanilino)-2-oxoethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[2-(2-methoxy-5-methylanilino)-2-oxoethyl]amino]-2-oxoethyl] 2-methylsulfanylpyridine-3-carboxylate Traditional Name: 2-(methylthio)nicotinic acid [2-keto-2-[[2-keto-2-(2-methoxy-5-methyl-anilino)ethyl]amino]ethyl] ester Formula: C19H21N3O5S MolecularWeight: 403.45214

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)NC(=O)CNC(=O)COC(=O)C2=C(N=CC=C2)SC

Isomeric SMILES

CC1=CC(=C(C=C1)OC)NC(=O)CNC(=O)COC(=O)C2=C(N=CC=C2)SC

InChI

InChI=1S/C19H21N3O5S/c1-12-6-7-15(26-2)14(9-12)22-16(23)10-21-17(24)11-27-19(25)13-5-4-8-20-18(13)28-3/h4-9H,10-11H2,1-3H3,(H,21,24)(H,22,23)