[2-[(2,4-dimethylphenyl)-ethanoyl-amino]-1,3-thiazol-4-yl]methyl 2-phenylsulfanylpyridine-3-carboxylate

Systemtic Name: [2-[(2,4-dimethylphenyl)-ethanoyl-amino]-1,3-thiazol-4-yl]methyl 2-phenylsulfanylpyridine-3-carboxylate Openeye Name: [2-(N-acetyl-2,4-dimethyl-anilino)thiazol-4-yl]methyl 2-phenylsulfanylpyridine-3-carboxylate CAS Name: 2-(phenylthio)-3-pyridinecarboxylic acid [2-(N-acetyl-2,4-dimethylanilino)-4-thiazolyl]methyl ester IUPAC Name: [2-(N-acetyl-2,4-dimethylanilino)-1,3-thiazol-4-yl]methyl 2-phenylsulfanylpyridine-3-carboxylate Traditional Name: 2-(phenylthio)nicotinic acid [2-(N-acetyl-2,4-dimethyl-anilino)thiazol-4-yl]methyl ester Formula: C26H23N3O3S2 MolecularWeight: 489.60912

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)N(C2=NC(=CS2)COC(=O)C3=C(N=CC=C3)SC4=CC=CC=C4)C(=O)C)C

Isomeric SMILES

CC1=CC(=C(C=C1)N(C2=NC(=CS2)COC(=O)C3=C(N=CC=C3)SC4=CC=CC=C4)C(=O)C)C

InChI

InChI=1S/C26H23N3O3S2/c1-17-11-12-23(18(2)14-17)29(19(3)30)26-28-20(16-33-26)15-32-25(31)22-10-7-13-27-24(22)34-21-8-5-4-6-9-21/h4-14,16H,15H2,1-3H3