[2-[(4-methoxycarbonylphenyl)methylamino]-2-oxidanylidene-ethyl] 3-chloranyl-6-fluoranyl-1-benzothiophene-2-carboxylate

Systemtic Name: [2-[(4-methoxycarbonylphenyl)methylamino]-2-oxidanylidene-ethyl] 3-chloranyl-6-fluoranyl-1-benzothiophene-2-carboxylate Openeye Name: [2-[(4-methoxycarbonylphenyl)methylamino]-2-oxo-ethyl] 3-chloro-6-fluoro-benzothiophene-2-carboxylate CAS Name: 3-chloro-6-fluoro-1-benzothiophene-2-carboxylic acid [2-[(4-methoxycarbonylphenyl)methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(4-methoxycarbonylphenyl)methylamino]-2-oxoethyl] 3-chloro-6-fluoro-1-benzothiophene-2-carboxylate Traditional Name: 3-chloro-6-fluoro-benzothiophene-2-carboxylic acid [2-[(4-carbomethoxybenzyl)amino]-2-keto-ethyl] ester Formula: C20H15ClFNO5S MolecularWeight: 435.853203

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H15ClFNO5S/c1-27-19(25)12-4-2-11(3-5-12)9-23-16(24)10-28-20(26)18-17(21)14-7-6-13(22)8-15(14)29-18/h2-8H,9-10H2,1H3,(H,23,24)