[2-[(4-fluorophenyl)amino]-2-oxidanylidene-ethyl] 5-azanyl-3-methyl-1,2-thiazole-4-carboxylate

Systemtic Name: [2-[(4-fluorophenyl)amino]-2-oxidanylidene-ethyl] 5-azanyl-3-methyl-1,2-thiazole-4-carboxylate Openeye Name: [2-(4-fluoroanilino)-2-oxo-ethyl] 5-amino-3-methyl-isothiazole-4-carboxylate CAS Name: 5-amino-3-methyl-4-isothiazolecarboxylic acid [2-(4-fluoroanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-fluoroanilino)-2-oxoethyl] 5-amino-3-methyl-1,2-thiazole-4-carboxylate Traditional Name: 5-amino-3-methyl-isothiazole-4-carboxylic acid [2-(4-fluoroanilino)-2-keto-ethyl] ester Formula: C13H12FN3O3S MolecularWeight: 309.316083

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NSC(=C1C(=O)OCC(=O)NC2=CC=C(C=C2)F)N

Isomeric SMILES

CC1=NSC(=C1C(=O)OCC(=O)NC2=CC=C(C=C2)F)N

InChI

InChI=1S/C13H12FN3O3S/c1-7-11(12(15)21-17-7)13(19)20-6-10(18)16-9-4-2-8(14)3-5-9/h2-5H,6,15H2,1H3,(H,16,18)