[2-[(2-fluoranyl-4-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 3-chloranyl-6-fluoranyl-1-benzothiophene-2-carboxylate

Systemtic Name: [2-[(2-fluoranyl-4-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 3-chloranyl-6-fluoranyl-1-benzothiophene-2-carboxylate Openeye Name: [2-(2-fluoro-4-methyl-anilino)-2-oxo-ethyl] 3-chloro-6-fluoro-benzothiophene-2-carboxylate CAS Name: 3-chloro-6-fluoro-1-benzothiophene-2-carboxylic acid [2-(2-fluoro-4-methylanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-fluoro-4-methylanilino)-2-oxoethyl] 3-chloro-6-fluoro-1-benzothiophene-2-carboxylate Traditional Name: 3-chloro-6-fluoro-benzothiophene-2-carboxylic acid [2-(2-fluoro-4-methyl-anilino)-2-keto-ethyl] ester Formula: C18H12ClF2NO3S MolecularWeight: 395.807586

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)COC(=O)C2=C(C3=C(S2)C=C(C=C3)F)Cl)F

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)COC(=O)C2=C(C3=C(S2)C=C(C=C3)F)Cl)F

InChI

InChI=1S/C18H12ClF2NO3S/c1-9-2-5-13(12(21)6-9)22-15(23)8-25-18(24)17-16(19)11-4-3-10(20)7-14(11)26-17/h2-7H,8H2,1H3,(H,22,23)