2-[[3-ethoxycarbonyl-4-[4-(4-fluorophenyl)phenyl]thiophen-2-yl]carbamoyl]benzoic acid

Systemtic Name: 2-[[3-ethoxycarbonyl-4-[4-(4-fluorophenyl)phenyl]thiophen-2-yl]carbamoyl]benzoic acid Openeye Name: 2-[[3-ethoxycarbonyl-4-[4-(4-fluorophenyl)phenyl]-2-thienyl]carbamoyl]benzoic acid CAS Name: 2-[[[3-ethoxycarbonyl-4-[4-(4-fluorophenyl)phenyl]-2-thiophenyl]amino]-oxomethyl]benzoic acid IUPAC Name: 2-[[3-ethoxycarbonyl-4-[4-(4-fluorophenyl)phenyl]thiophen-2-yl]carbamoyl]benzoic acid Traditional Name: 2-[[3-carbethoxy-4-[4-(4-fluorophenyl)phenyl]-2-thienyl]carbamoyl]benzoic acid Formula: C27H20FNO5S MolecularWeight: 489.514803

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC=C1C2=CC=C(C=C2)C3=CC=C(C=C3)F)NC(=O)C4=CC=CC=C4C(=O)O

Isomeric SMILES

CCOC(=O)C1=C(SC=C1C2=CC=C(C=C2)C3=CC=C(C=C3)F)NC(=O)C4=CC=CC=C4C(=O)O

InChI

InChI=1S/C27H20FNO5S/c1-2-34-27(33)23-22(18-9-7-16(8-10-18)17-11-13-19(28)14-12-17)15-35-25(23)29-24(30)20-5-3-4-6-21(20)26(31)32/h3-15H,2H2,1H3,(H,29,30)(H,31,32)