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

Systemtic Name: 2-[[3-ethoxycarbonyl-4-[4-(3-methoxyphenyl)phenyl]thiophen-2-yl]carbamoyl]benzoic acid Openeye Name: 2-[[3-ethoxycarbonyl-4-[4-(3-methoxyphenyl)phenyl]-2-thienyl]carbamoyl]benzoic acid CAS Name: 2-[[[3-ethoxycarbonyl-4-[4-(3-methoxyphenyl)phenyl]-2-thiophenyl]amino]-oxomethyl]benzoic acid IUPAC Name: 2-[[3-ethoxycarbonyl-4-[4-(3-methoxyphenyl)phenyl]thiophen-2-yl]carbamoyl]benzoic acid Traditional Name: 2-[[3-carbethoxy-4-[4-(3-methoxyphenyl)phenyl]-2-thienyl]carbamoyl]benzoic acid Formula: C28H23NO6S MolecularWeight: 501.55032

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H23NO6S/c1-3-35-28(33)24-23(18-13-11-17(12-14-18)19-7-6-8-20(15-19)34-2)16-36-26(24)29-25(30)21-9-4-5-10-22(21)27(31)32/h4-16H,3H2,1-2H3,(H,29,30)(H,31,32)