2-[(3-bromophenyl)carbonylamino]-4-(4-ethoxyphenyl)thiophene-3-carboxylic acid

Systemtic Name: 2-[(3-bromophenyl)carbonylamino]-4-(4-ethoxyphenyl)thiophene-3-carboxylic acid Openeye Name: 2-[(3-bromobenzoyl)amino]-4-(4-ethoxyphenyl)thiophene-3-carboxylic acid CAS Name: 2-[[(3-bromophenyl)-oxomethyl]amino]-4-(4-ethoxyphenyl)-3-thiophenecarboxylic acid IUPAC Name: 2-[(3-bromobenzoyl)amino]-4-(4-ethoxyphenyl)thiophene-3-carboxylic acid Traditional Name: 2-[(3-bromobenzoyl)amino]-4-p-phenetyl-3-thenoic acid Formula: C20H16BrNO4S MolecularWeight: 446.31434

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2=CSC(=C2C(=O)O)NC(=O)C3=CC(=CC=C3)Br

Isomeric SMILES

CCOC1=CC=C(C=C1)C2=CSC(=C2C(=O)O)NC(=O)C3=CC(=CC=C3)Br

InChI

InChI=1S/C20H16BrNO4S/c1-2-26-15-8-6-12(7-9-15)16-11-27-19(17(16)20(24)25)22-18(23)13-4-3-5-14(21)10-13/h3-11H,2H2,1H3,(H,22,23)(H,24,25)