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

Systemtic Name: [2-[(3,4-dimethylphenyl)-ethanoyl-amino]-1,3-thiazol-4-yl]methyl 2-chloranylpyridine-3-carboxylate Openeye Name: [2-(N-acetyl-3,4-dimethyl-anilino)thiazol-4-yl]methyl 2-chloropyridine-3-carboxylate CAS Name: 2-chloro-3-pyridinecarboxylic acid [2-(N-acetyl-3,4-dimethylanilino)-4-thiazolyl]methyl ester IUPAC Name: [2-(N-acetyl-3,4-dimethylanilino)-1,3-thiazol-4-yl]methyl 2-chloropyridine-3-carboxylate Traditional Name: 2-chloronicotinic acid [2-(N-acetyl-3,4-dimethyl-anilino)thiazol-4-yl]methyl ester Formula: C20H18ClN3O3S MolecularWeight: 415.89322

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H18ClN3O3S/c1-12-6-7-16(9-13(12)2)24(14(3)25)20-23-15(11-28-20)10-27-19(26)17-5-4-8-22-18(17)21/h4-9,11H,10H2,1-3H3