2-[[3-ethoxycarbonyl-5-methyl-4-(4-phenylphenyl)thiophen-2-yl]carbamoyl]benzoic acid

Systemtic Name: 2-[[3-ethoxycarbonyl-5-methyl-4-(4-phenylphenyl)thiophen-2-yl]carbamoyl]benzoic acid Openeye Name: 2-[[3-ethoxycarbonyl-5-methyl-4-(4-phenylphenyl)-2-thienyl]carbamoyl]benzoic acid CAS Name: 2-[[[3-ethoxycarbonyl-5-methyl-4-(4-phenylphenyl)-2-thiophenyl]amino]-oxomethyl]benzoic acid IUPAC Name: 2-[[3-ethoxycarbonyl-5-methyl-4-(4-phenylphenyl)thiophen-2-yl]carbamoyl]benzoic acid Traditional Name: 2-[[3-carbethoxy-5-methyl-4-(4-phenylphenyl)-2-thienyl]carbamoyl]benzoic acid Formula: C28H23NO5S MolecularWeight: 485.55092

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H23NO5S/c1-3-34-28(33)24-23(20-15-13-19(14-16-20)18-9-5-4-6-10-18)17(2)35-26(24)29-25(30)21-11-7-8-12-22(21)27(31)32/h4-16H,3H2,1-2H3,(H,29,30)(H,31,32)