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

Systemtic Name: [2-[(2-methoxy-4-morpholin-4-ylsulfonyl-phenyl)amino]-2-oxidanylidene-ethyl] 3-chloranyl-6-fluoranyl-1-benzothiophene-2-carboxylate Openeye Name: [2-(2-methoxy-4-morpholinosulfonyl-anilino)-2-oxo-ethyl] 3-chloro-6-fluoro-benzothiophene-2-carboxylate CAS Name: 3-chloro-6-fluoro-1-benzothiophene-2-carboxylic acid [2-[2-methoxy-4-(4-morpholinylsulfonyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-(2-methoxy-4-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 3-chloro-6-fluoro-1-benzothiophene-2-carboxylate Traditional Name: 3-chloro-6-fluoro-benzothiophene-2-carboxylic acid [2-keto-2-(2-methoxy-4-morpholinosulfonyl-anilino)ethyl] ester Formula: C22H20ClFN2O7S2 MolecularWeight: 542.984803

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)S(=O)(=O)N2CCOCC2)NC(=O)COC(=O)C3=C(C4=C(S3)C=C(C=C4)F)Cl

Isomeric SMILES

COC1=C(C=CC(=C1)S(=O)(=O)N2CCOCC2)NC(=O)COC(=O)C3=C(C4=C(S3)C=C(C=C4)F)Cl

InChI

InChI=1S/C22H20ClFN2O7S2/c1-31-17-11-14(35(29,30)26-6-8-32-9-7-26)3-5-16(17)25-19(27)12-33-22(28)21-20(23)15-4-2-13(24)10-18(15)34-21/h2-5,10-11H,6-9,12H2,1H3,(H,25,27)