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

Systemtic Name: [2-[(2,6-dimethylphenyl)-ethanoyl-amino]-1,3-thiazol-4-yl]methyl pyridine-4-carboxylate Openeye Name: [2-(N-acetyl-2,6-dimethyl-anilino)thiazol-4-yl]methyl pyridine-4-carboxylate CAS Name: 4-pyridinecarboxylic acid [2-(N-acetyl-2,6-dimethylanilino)-4-thiazolyl]methyl ester IUPAC Name: [2-(N-acetyl-2,6-dimethylanilino)-1,3-thiazol-4-yl]methyl pyridine-4-carboxylate Traditional Name: isonicotinic acid [2-(N-acetyl-2,6-dimethyl-anilino)thiazol-4-yl]methyl ester Formula: C20H19N3O3S MolecularWeight: 381.44816

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H19N3O3S/c1-13-5-4-6-14(2)18(13)23(15(3)24)20-22-17(12-27-20)11-26-19(25)16-7-9-21-10-8-16/h4-10,12H,11H2,1-3H3