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

Systemtic Name: 2-[[4-(4-bromophenyl)-3-ethoxycarbonyl-thiophen-2-yl]carbamoyl]benzoic acid Openeye Name: 2-[[4-(4-bromophenyl)-3-ethoxycarbonyl-2-thienyl]carbamoyl]benzoic acid CAS Name: 2-[[[4-(4-bromophenyl)-3-ethoxycarbonyl-2-thiophenyl]amino]-oxomethyl]benzoic acid IUPAC Name: 2-[[4-(4-bromophenyl)-3-ethoxycarbonylthiophen-2-yl]carbamoyl]benzoic acid Traditional Name: 2-[[4-(4-bromophenyl)-3-carbethoxy-2-thienyl]carbamoyl]benzoic acid Formula: C21H16BrNO5S MolecularWeight: 474.32444

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC=C1C2=CC=C(C=C2)Br)NC(=O)C3=CC=CC=C3C(=O)O

Isomeric SMILES

CCOC(=O)C1=C(SC=C1C2=CC=C(C=C2)Br)NC(=O)C3=CC=CC=C3C(=O)O

InChI

InChI=1S/C21H16BrNO5S/c1-2-28-21(27)17-16(12-7-9-13(22)10-8-12)11-29-19(17)23-18(24)14-5-3-4-6-15(14)20(25)26/h3-11H,2H2,1H3,(H,23,24)(H,25,26)