4-[3,5-bis(bromanyl)-4-phenylmethoxy-phenyl]-2-(2-cyanoethanoylamino)thiophene-3-carboxylic acid

Systemtic Name: 4-[3,5-bis(bromanyl)-4-phenylmethoxy-phenyl]-2-(2-cyanoethanoylamino)thiophene-3-carboxylic acid Openeye Name: 4-(4-benzyloxy-3,5-dibromo-phenyl)-2-[(2-cyanoacetyl)amino]thiophene-3-carboxylic acid CAS Name: 2-[(2-cyano-1-oxoethyl)amino]-4-(3,5-dibromo-4-phenylmethoxyphenyl)-3-thiophenecarboxylic acid IUPAC Name: 2-[(2-cyanoacetyl)amino]-4-(3,5-dibromo-4-phenylmethoxyphenyl)thiophene-3-carboxylic acid Traditional Name: 4-(4-benzoxy-3,5-dibromo-phenyl)-2-[(2-cyanoacetyl)amino]-3-thenoic acid Formula: C21H14Br2N2O4S MolecularWeight: 550.21986

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC2=C(C=C(C=C2Br)C3=CSC(=C3C(=O)O)NC(=O)CC#N)Br

Isomeric SMILES

C1=CC=C(C=C1)COC2=C(C=C(C=C2Br)C3=CSC(=C3C(=O)O)NC(=O)CC#N)Br

InChI

InChI=1S/C21H14Br2N2O4S/c22-15-8-13(9-16(23)19(15)29-10-12-4-2-1-3-5-12)14-11-30-20(18(14)21(27)28)25-17(26)6-7-24/h1-5,8-9,11H,6,10H2,(H,25,26)(H,27,28)