2-[[5-(2,3-dihydroindol-1-ylsulfonyl)-2-methoxy-phenyl]carbonylamino]thiophene-3-carboxylic acid

Systemtic Name: 2-[[5-(2,3-dihydroindol-1-ylsulfonyl)-2-methoxy-phenyl]carbonylamino]thiophene-3-carboxylic acid Openeye Name: 2-[(5-indolin-1-ylsulfonyl-2-methoxy-benzoyl)amino]thiophene-3-carboxylic acid CAS Name: 2-[[[5-(2,3-dihydroindol-1-ylsulfonyl)-2-methoxyphenyl]-oxomethyl]amino]-3-thiophenecarboxylic acid IUPAC Name: 2-[[5-(2,3-dihydroindol-1-ylsulfonyl)-2-methoxybenzoyl]amino]thiophene-3-carboxylic acid Traditional Name: 2-[(5-indolin-1-ylsulfonyl-2-methoxy-benzoyl)amino]-3-thenoic acid Formula: C21H18N2O6S2 MolecularWeight: 458.50742

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CCC3=CC=CC=C32)C(=O)NC4=C(C=CS4)C(=O)O

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCC3=CC=CC=C32)C(=O)NC4=C(C=CS4)C(=O)O

InChI

InChI=1S/C21H18N2O6S2/c1-29-18-7-6-14(31(27,28)23-10-8-13-4-2-3-5-17(13)23)12-16(18)19(24)22-20-15(21(25)26)9-11-30-20/h2-7,9,11-12H,8,10H2,1H3,(H,22,24)(H,25,26)