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

Systemtic Name: [2-[(3,4-dimethylphenyl)-ethanoyl-amino]-1,3-thiazol-4-yl]methyl 4-fluoranylbenzoate Openeye Name: [2-(N-acetyl-3,4-dimethyl-anilino)thiazol-4-yl]methyl 4-fluorobenzoate CAS Name: 4-fluorobenzoic acid [2-(N-acetyl-3,4-dimethylanilino)-4-thiazolyl]methyl ester IUPAC Name: [2-(N-acetyl-3,4-dimethylanilino)-1,3-thiazol-4-yl]methyl 4-fluorobenzoate Traditional Name: 4-fluorobenzoic acid [2-(N-acetyl-3,4-dimethyl-anilino)thiazol-4-yl]methyl ester Formula: C21H19FN2O3S MolecularWeight: 398.450563

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H19FN2O3S/c1-13-4-9-19(10-14(13)2)24(15(3)25)21-23-18(12-28-21)11-27-20(26)16-5-7-17(22)8-6-16/h4-10,12H,11H2,1-3H3