[2-[(2-chloranyl-4,6-dimethyl-phenyl)-ethanoyl-amino]-1,3-thiazol-4-yl]methyl pyridine-3-carboxylate

Systemtic Name: [2-[(2-chloranyl-4,6-dimethyl-phenyl)-ethanoyl-amino]-1,3-thiazol-4-yl]methyl pyridine-3-carboxylate Openeye Name: [2-(N-acetyl-2-chloro-4,6-dimethyl-anilino)thiazol-4-yl]methyl pyridine-3-carboxylate CAS Name: 3-pyridinecarboxylic acid [2-(N-acetyl-2-chloro-4,6-dimethylanilino)-4-thiazolyl]methyl ester IUPAC Name: [2-(N-acetyl-2-chloro-4,6-dimethylanilino)-1,3-thiazol-4-yl]methyl pyridine-3-carboxylate Traditional Name: nicotinic acid [2-(N-acetyl-2-chloro-4,6-dimethyl-anilino)thiazol-4-yl]methyl ester Formula: C20H18ClN3O3S MolecularWeight: 415.89322

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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