4-(4-bromophenyl)-2-(2-cyanoethanoylamino)thiophene-3-carboxylic acid

Systemtic Name: 4-(4-bromophenyl)-2-(2-cyanoethanoylamino)thiophene-3-carboxylic acid Openeye Name: 4-(4-bromophenyl)-2-[(2-cyanoacetyl)amino]thiophene-3-carboxylic acid CAS Name: 4-(4-bromophenyl)-2-[(2-cyano-1-oxoethyl)amino]-3-thiophenecarboxylic acid IUPAC Name: 4-(4-bromophenyl)-2-[(2-cyanoacetyl)amino]thiophene-3-carboxylic acid Traditional Name: 4-(4-bromophenyl)-2-[(2-cyanoacetyl)amino]-3-thenoic acid Formula: C14H9BrN2O3S MolecularWeight: 365.20186

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=CSC(=C2C(=O)O)NC(=O)CC#N)Br

Isomeric SMILES

C1=CC(=CC=C1C2=CSC(=C2C(=O)O)NC(=O)CC#N)Br

InChI

InChI=1S/C14H9BrN2O3S/c15-9-3-1-8(2-4-9)10-7-21-13(12(10)14(19)20)17-11(18)5-6-16/h1-4,7H,5H2,(H,17,18)(H,19,20)