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

Systemtic Name: [2-[(2,6-dimethylphenyl)-ethanoyl-amino]-1,3-thiazol-4-yl]methyl 4-cyanobenzoate Openeye Name: [2-(N-acetyl-2,6-dimethyl-anilino)thiazol-4-yl]methyl 4-cyanobenzoate CAS Name: 4-cyanobenzoic 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 4-cyanobenzoate Traditional Name: 4-cyanobenzoic acid [2-(N-acetyl-2,6-dimethyl-anilino)thiazol-4-yl]methyl ester Formula: C22H19N3O3S MolecularWeight: 405.46956

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H19N3O3S/c1-14-5-4-6-15(2)20(14)25(16(3)26)22-24-19(13-29-22)12-28-21(27)18-9-7-17(11-23)8-10-18/h4-10,13H,12H2,1-3H3