methyl 5-[2-[(5-fluoranyl-2-methoxy-phenyl)sulfonyl-methyl-amino]ethanoylamino]-1-benzothiophene-2-carboxylate

Systemtic Name: methyl 5-[2-[(5-fluoranyl-2-methoxy-phenyl)sulfonyl-methyl-amino]ethanoylamino]-1-benzothiophene-2-carboxylate Openeye Name: methyl 5-[[2-[(5-fluoro-2-methoxy-phenyl)sulfonyl-methyl-amino]acetyl]amino]benzothiophene-2-carboxylate CAS Name: 5-[[2-[(5-fluoro-2-methoxyphenyl)sulfonyl-methylamino]-1-oxoethyl]amino]-1-benzothiophene-2-carboxylic acid methyl ester IUPAC Name: methyl 5-[[2-[(5-fluoro-2-methoxyphenyl)sulfonyl-methylamino]acetyl]amino]-1-benzothiophene-2-carboxylate Traditional Name: 5-[[2-[(5-fluoro-2-methoxy-phenyl)sulfonyl-methyl-amino]acetyl]amino]benzothiophene-2-carboxylic acid methyl ester Formula: C20H19FN2O6S2 MolecularWeight: 466.503063

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC(=O)NC1=CC2=C(C=C1)SC(=C2)C(=O)OC)S(=O)(=O)C3=C(C=CC(=C3)F)OC

Isomeric SMILES

CN(CC(=O)NC1=CC2=C(C=C1)SC(=C2)C(=O)OC)S(=O)(=O)C3=C(C=CC(=C3)F)OC

InChI

InChI=1S/C20H19FN2O6S2/c1-23(31(26,27)18-10-13(21)4-6-15(18)28-2)11-19(24)22-14-5-7-16-12(8-14)9-17(30-16)20(25)29-3/h4-10H,11H2,1-3H3,(H,22,24)