[2-[2-[(2-methylphenyl)amino]-2-oxidanylidene-ethyl]-1,3-thiazol-4-yl]methyl 2-ethoxypyridine-3-carboxylate

Systemtic Name: [2-[2-[(2-methylphenyl)amino]-2-oxidanylidene-ethyl]-1,3-thiazol-4-yl]methyl 2-ethoxypyridine-3-carboxylate Openeye Name: [2-[2-(2-methylanilino)-2-oxo-ethyl]thiazol-4-yl]methyl 2-ethoxypyridine-3-carboxylate CAS Name: 2-ethoxy-3-pyridinecarboxylic acid [2-[2-(2-methylanilino)-2-oxoethyl]-4-thiazolyl]methyl ester IUPAC Name: [2-[2-(2-methylanilino)-2-oxoethyl]-1,3-thiazol-4-yl]methyl 2-ethoxypyridine-3-carboxylate Traditional Name: 2-ethoxynicotinic acid [2-[2-keto-2-(o-toluidino)ethyl]thiazol-4-yl]methyl ester Formula: C21H21N3O4S MolecularWeight: 411.47414

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC=N1)C(=O)OCC2=CSC(=N2)CC(=O)NC3=CC=CC=C3C

Isomeric SMILES

CCOC1=C(C=CC=N1)C(=O)OCC2=CSC(=N2)CC(=O)NC3=CC=CC=C3C

InChI

InChI=1S/C21H21N3O4S/c1-3-27-20-16(8-6-10-22-20)21(26)28-12-15-13-29-19(23-15)11-18(25)24-17-9-5-4-7-14(17)2/h4-10,13H,3,11-12H2,1-2H3,(H,24,25)