[2-(4-acetamido-2-fluoranyl-phenyl)-2-oxidanylidene-ethyl] 3-methyl-5-(methylamino)-1,2-thiazole-4-carboxylate

Systemtic Name: [2-(4-acetamido-2-fluoranyl-phenyl)-2-oxidanylidene-ethyl] 3-methyl-5-(methylamino)-1,2-thiazole-4-carboxylate Openeye Name: [2-(4-acetamido-2-fluoro-phenyl)-2-oxo-ethyl] 3-methyl-5-(methylamino)isothiazole-4-carboxylate CAS Name: 3-methyl-5-(methylamino)-4-isothiazolecarboxylic acid [2-(4-acetamido-2-fluorophenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-acetamido-2-fluorophenyl)-2-oxoethyl] 3-methyl-5-(methylamino)-1,2-thiazole-4-carboxylate Traditional Name: 3-methyl-5-(methylamino)isothiazole-4-carboxylic acid [2-(4-acetamido-2-fluoro-phenyl)-2-keto-ethyl] ester Formula: C16H16FN3O4S MolecularWeight: 365.379343

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NSC(=C1C(=O)OCC(=O)C2=C(C=C(C=C2)NC(=O)C)F)NC

Isomeric SMILES

CC1=NSC(=C1C(=O)OCC(=O)C2=C(C=C(C=C2)NC(=O)C)F)NC

InChI

InChI=1S/C16H16FN3O4S/c1-8-14(15(18-3)25-20-8)16(23)24-7-13(22)11-5-4-10(6-12(11)17)19-9(2)21/h4-6,18H,7H2,1-3H3,(H,19,21)