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

Systemtic Name: 3-[[2-(4-chlorophenyl)-4-ethoxycarbonyl-5-methyl-furan-3-yl]sulfonylamino]-5-phenyl-thiophene-2-carboxylic acid Openeye Name: 3-[[2-(4-chlorophenyl)-4-ethoxycarbonyl-5-methyl-3-furyl]sulfonylamino]-5-phenyl-thiophene-2-carboxylic acid CAS Name: 3-[[2-(4-chlorophenyl)-4-ethoxycarbonyl-5-methyl-3-furanyl]sulfonylamino]-5-phenyl-2-thiophenecarboxylic acid IUPAC Name: 3-[[2-(4-chlorophenyl)-4-ethoxycarbonyl-5-methylfuran-3-yl]sulfonylamino]-5-phenylthiophene-2-carboxylic acid Traditional Name: 3-[[4-carbethoxy-2-(4-chlorophenyl)-5-methyl-3-furyl]sulfonylamino]-5-phenyl-2-thenoic acid Formula: C25H20ClNO7S2 MolecularWeight: 546.0118

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(OC(=C1S(=O)(=O)NC2=C(SC(=C2)C3=CC=CC=C3)C(=O)O)C4=CC=C(C=C4)Cl)C

Isomeric SMILES

CCOC(=O)C1=C(OC(=C1S(=O)(=O)NC2=C(SC(=C2)C3=CC=CC=C3)C(=O)O)C4=CC=C(C=C4)Cl)C

InChI

InChI=1S/C25H20ClNO7S2/c1-3-33-25(30)20-14(2)34-21(16-9-11-17(26)12-10-16)23(20)36(31,32)27-18-13-19(35-22(18)24(28)29)15-7-5-4-6-8-15/h4-13,27H,3H2,1-2H3,(H,28,29)