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

Systemtic Name: [2-[2-[(2-methylphenyl)amino]-2-oxidanylidene-ethyl]-1,3-thiazol-4-yl]methyl 2-phenylsulfanylpyridine-3-carboxylate Openeye Name: [2-[2-(2-methylanilino)-2-oxo-ethyl]thiazol-4-yl]methyl 2-phenylsulfanylpyridine-3-carboxylate CAS Name: 2-(phenylthio)-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-phenylsulfanylpyridine-3-carboxylate Traditional Name: 2-(phenylthio)nicotinic acid [2-[2-keto-2-(o-toluidino)ethyl]thiazol-4-yl]methyl ester Formula: C25H21N3O3S2 MolecularWeight: 475.58254

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=O)CC2=NC(=CS2)COC(=O)C3=C(N=CC=C3)SC4=CC=CC=C4

Isomeric SMILES

CC1=CC=CC=C1NC(=O)CC2=NC(=CS2)COC(=O)C3=C(N=CC=C3)SC4=CC=CC=C4

InChI

InChI=1S/C25H21N3O3S2/c1-17-8-5-6-12-21(17)28-22(29)14-23-27-18(16-32-23)15-31-25(30)20-11-7-13-26-24(20)33-19-9-3-2-4-10-19/h2-13,16H,14-15H2,1H3,(H,28,29)