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

Systemtic Name: 3-[[2-(4-chlorophenyl)-5-ethoxycarbonyl-4-methyl-1-phenyl-pyrrol-3-yl]sulfonylamino]-5-phenyl-thiophene-2-carboxylic acid Openeye Name: 3-[[2-(4-chlorophenyl)-5-ethoxycarbonyl-4-methyl-1-phenyl-pyrrol-3-yl]sulfonylamino]-5-phenyl-thiophene-2-carboxylic acid CAS Name: 3-[[2-(4-chlorophenyl)-5-ethoxycarbonyl-4-methyl-1-phenyl-3-pyrrolyl]sulfonylamino]-5-phenyl-2-thiophenecarboxylic acid IUPAC Name: 3-[[2-(4-chlorophenyl)-5-ethoxycarbonyl-4-methyl-1-phenylpyrrol-3-yl]sulfonylamino]-5-phenylthiophene-2-carboxylic acid Traditional Name: 3-[[5-carbethoxy-2-(4-chlorophenyl)-4-methyl-1-phenyl-pyrrol-3-yl]sulfonylamino]-5-phenyl-2-thenoic acid Formula: C31H25ClN2O6S2 MolecularWeight: 621.123

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(N1C2=CC=CC=C2)C3=CC=C(C=C3)Cl)S(=O)(=O)NC4=C(SC(=C4)C5=CC=CC=C5)C(=O)O)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(N1C2=CC=CC=C2)C3=CC=C(C=C3)Cl)S(=O)(=O)NC4=C(SC(=C4)C5=CC=CC=C5)C(=O)O)C

InChI

InChI=1S/C31H25ClN2O6S2/c1-3-40-31(37)26-19(2)29(27(21-14-16-22(32)17-15-21)34(26)23-12-8-5-9-13-23)42(38,39)33-24-18-25(41-28(24)30(35)36)20-10-6-4-7-11-20/h4-18,33H,3H2,1-2H3,(H,35,36)