3-[(4-ethoxycarbonyl-5-methyl-1,2-diphenyl-pyrrol-3-yl)sulfonylamino]-5-phenyl-thiophene-2-carboxylic acid

Systemtic Name: 3-[(4-ethoxycarbonyl-5-methyl-1,2-diphenyl-pyrrol-3-yl)sulfonylamino]-5-phenyl-thiophene-2-carboxylic acid Openeye Name: 3-[(4-ethoxycarbonyl-5-methyl-1,2-diphenyl-pyrrol-3-yl)sulfonylamino]-5-phenyl-thiophene-2-carboxylic acid CAS Name: 3-[(4-ethoxycarbonyl-5-methyl-1,2-diphenyl-3-pyrrolyl)sulfonylamino]-5-phenyl-2-thiophenecarboxylic acid IUPAC Name: 3-[(4-ethoxycarbonyl-5-methyl-1,2-diphenylpyrrol-3-yl)sulfonylamino]-5-phenylthiophene-2-carboxylic acid Traditional Name: 3-[(4-carbethoxy-5-methyl-1,2-diphenyl-pyrrol-3-yl)sulfonylamino]-5-phenyl-2-thenoic acid Formula: C31H26N2O6S2 MolecularWeight: 586.67794

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C(=C1S(=O)(=O)NC2=C(SC(=C2)C3=CC=CC=C3)C(=O)O)C4=CC=CC=C4)C5=CC=CC=C5)C

Isomeric SMILES

CCOC(=O)C1=C(N(C(=C1S(=O)(=O)NC2=C(SC(=C2)C3=CC=CC=C3)C(=O)O)C4=CC=CC=C4)C5=CC=CC=C5)C

InChI

InChI=1S/C31H26N2O6S2/c1-3-39-31(36)26-20(2)33(23-17-11-6-12-18-23)27(22-15-9-5-10-16-22)29(26)41(37,38)32-24-19-25(40-28(24)30(34)35)21-13-7-4-8-14-21/h4-19,32H,3H2,1-2H3,(H,34,35)