[2-[ethanoyl-(3-methylphenyl)amino]-1,3-thiazol-4-yl]methyl 3-cyanobenzoate

Systemtic Name: [2-[ethanoyl-(3-methylphenyl)amino]-1,3-thiazol-4-yl]methyl 3-cyanobenzoate Openeye Name: [2-(N-acetyl-3-methyl-anilino)thiazol-4-yl]methyl 3-cyanobenzoate CAS Name: 3-cyanobenzoic acid [2-(N-acetyl-3-methylanilino)-4-thiazolyl]methyl ester IUPAC Name: [2-(N-acetyl-3-methylanilino)-1,3-thiazol-4-yl]methyl 3-cyanobenzoate Traditional Name: 3-cyanobenzoic acid [2-(N-acetyl-3-methyl-anilino)thiazol-4-yl]methyl ester Formula: C21H17N3O3S MolecularWeight: 391.44298

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H17N3O3S/c1-14-5-3-8-19(9-14)24(15(2)25)21-23-18(13-28-21)12-27-20(26)17-7-4-6-16(10-17)11-22/h3-10,13H,12H2,1-2H3