methyl 3-[[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]carbonylamino]-1-benzothiophene-2-carboxylate

Systemtic Name: methyl 3-[[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]carbonylamino]-1-benzothiophene-2-carboxylate Openeye Name: methyl 3-[(4-indolin-1-ylsulfonylbenzoyl)amino]benzothiophene-2-carboxylate CAS Name: 3-[[[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]-oxomethyl]amino]-1-benzothiophene-2-carboxylic acid methyl ester IUPAC Name: methyl 3-[[4-(2,3-dihydroindol-1-ylsulfonyl)benzoyl]amino]-1-benzothiophene-2-carboxylate Traditional Name: 3-[(4-indolin-1-ylsulfonylbenzoyl)amino]benzothiophene-2-carboxylic acid methyl ester Formula: C25H20N2O5S2 MolecularWeight: 492.5667

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C2=CC=CC=C2S1)NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCC5=CC=CC=C54

Isomeric SMILES

COC(=O)C1=C(C2=CC=CC=C2S1)NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCC5=CC=CC=C54

InChI

InChI=1S/C25H20N2O5S2/c1-32-25(29)23-22(19-7-3-5-9-21(19)33-23)26-24(28)17-10-12-18(13-11-17)34(30,31)27-15-14-16-6-2-4-8-20(16)27/h2-13H,14-15H2,1H3,(H,26,28)