[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxidanylidene-ethyl] 3-fluoranylbenzoate

Systemtic Name: [2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxidanylidene-ethyl] 3-fluoranylbenzoate Openeye Name: [2-[(4,5-dimethylthiazol-2-yl)amino]-2-oxo-ethyl] 3-fluorobenzoate CAS Name: 3-fluorobenzoic acid [2-[(4,5-dimethyl-2-thiazolyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl] 3-fluorobenzoate Traditional Name: 3-fluorobenzoic acid [2-[(4,5-dimethylthiazol-2-yl)amino]-2-keto-ethyl] ester Formula: C14H13FN2O3S MolecularWeight: 308.328023

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)NC(=O)COC(=O)C2=CC(=CC=C2)F)C

Isomeric SMILES

CC1=C(SC(=N1)NC(=O)COC(=O)C2=CC(=CC=C2)F)C

InChI

InChI=1S/C14H13FN2O3S/c1-8-9(2)21-14(16-8)17-12(18)7-20-13(19)10-4-3-5-11(15)6-10/h3-6H,7H2,1-2H3,(H,16,17,18)