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

Systemtic Name: [2-[(2,6-dimethylphenyl)-ethanoyl-amino]-1,3-thiazol-4-yl]methyl 3-fluoranyl-4-methyl-benzoate Openeye Name: [2-(N-acetyl-2,6-dimethyl-anilino)thiazol-4-yl]methyl 3-fluoro-4-methyl-benzoate CAS Name: 3-fluoro-4-methylbenzoic 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 3-fluoro-4-methylbenzoate Traditional Name: 3-fluoro-4-methyl-benzoic acid [2-(N-acetyl-2,6-dimethyl-anilino)thiazol-4-yl]methyl ester Formula: C22H21FN2O3S MolecularWeight: 412.477143

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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)F)C(=O)C

Isomeric SMILES

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

InChI

InChI=1S/C22H21FN2O3S/c1-13-8-9-17(10-19(13)23)21(27)28-11-18-12-29-22(24-18)25(16(4)26)20-14(2)6-5-7-15(20)3/h5-10,12H,11H2,1-4H3