2-[2-[(2-chloranyl-6-fluoranyl-phenyl)methylamino]-2-oxidanylidene-ethyl]-4-methyl-1,3-thiazole-5-carboxylic acid

Systemtic Name: 2-[2-[(2-chloranyl-6-fluoranyl-phenyl)methylamino]-2-oxidanylidene-ethyl]-4-methyl-1,3-thiazole-5-carboxylic acid Openeye Name: 2-[2-[(2-chloro-6-fluoro-phenyl)methylamino]-2-oxo-ethyl]-4-methyl-thiazole-5-carboxylic acid CAS Name: 2-[2-[(2-chloro-6-fluorophenyl)methylamino]-2-oxoethyl]-4-methyl-5-thiazolecarboxylic acid IUPAC Name: 2-[2-[(2-chloro-6-fluorophenyl)methylamino]-2-oxoethyl]-4-methyl-1,3-thiazole-5-carboxylic acid Traditional Name: 2-[2-[(2-chloro-6-fluoro-benzyl)amino]-2-keto-ethyl]-4-methyl-thiazole-5-carboxylic acid Formula: C14H12ClFN2O3S MolecularWeight: 342.773083

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)CC(=O)NCC2=C(C=CC=C2Cl)F)C(=O)O

Isomeric SMILES

CC1=C(SC(=N1)CC(=O)NCC2=C(C=CC=C2Cl)F)C(=O)O

InChI

InChI=1S/C14H12ClFN2O3S/c1-7-13(14(20)21)22-12(18-7)5-11(19)17-6-8-9(15)3-2-4-10(8)16/h2-4H,5-6H2,1H3,(H,17,19)(H,20,21)