[2-[(3-chloranyl-4-methoxy-phenyl)amino]-2-oxidanylidene-ethyl] 5-fluoranyl-1-benzothiophene-2-carboxylate

Systemtic Name: [2-[(3-chloranyl-4-methoxy-phenyl)amino]-2-oxidanylidene-ethyl] 5-fluoranyl-1-benzothiophene-2-carboxylate Openeye Name: [2-(3-chloro-4-methoxy-anilino)-2-oxo-ethyl] 5-fluorobenzothiophene-2-carboxylate CAS Name: 5-fluoro-1-benzothiophene-2-carboxylic acid [2-(3-chloro-4-methoxyanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-chloro-4-methoxyanilino)-2-oxoethyl] 5-fluoro-1-benzothiophene-2-carboxylate Traditional Name: 5-fluorobenzothiophene-2-carboxylic acid [2-(3-chloro-4-methoxy-anilino)-2-keto-ethyl] ester Formula: C18H13ClFNO4S MolecularWeight: 393.816523

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC(=O)COC(=O)C2=CC3=C(S2)C=CC(=C3)F)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)NC(=O)COC(=O)C2=CC3=C(S2)C=CC(=C3)F)Cl

InChI

InChI=1S/C18H13ClFNO4S/c1-24-14-4-3-12(8-13(14)19)21-17(22)9-25-18(23)16-7-10-6-11(20)2-5-15(10)26-16/h2-8H,9H2,1H3,(H,21,22)