4-(4-aminophenyl)-5-chloranyl-2-(2-cyanoethanoylamino)thiophene-3-carboxylic acid

Systemtic Name: 4-(4-aminophenyl)-5-chloranyl-2-(2-cyanoethanoylamino)thiophene-3-carboxylic acid Openeye Name: 4-(4-aminophenyl)-5-chloro-2-[(2-cyanoacetyl)amino]thiophene-3-carboxylic acid CAS Name: 4-(4-aminophenyl)-5-chloro-2-[(2-cyano-1-oxoethyl)amino]-3-thiophenecarboxylic acid IUPAC Name: 4-(4-aminophenyl)-5-chloro-2-[(2-cyanoacetyl)amino]thiophene-3-carboxylic acid Traditional Name: 4-(4-aminophenyl)-5-chloro-2-[(2-cyanoacetyl)amino]-3-thenoic acid Formula: C14H10ClN3O3S MolecularWeight: 335.7655

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=C(SC(=C2C(=O)O)NC(=O)CC#N)Cl)N

Isomeric SMILES

C1=CC(=CC=C1C2=C(SC(=C2C(=O)O)NC(=O)CC#N)Cl)N

InChI

InChI=1S/C14H10ClN3O3S/c15-12-10(7-1-3-8(17)4-2-7)11(14(20)21)13(22-12)18-9(19)5-6-16/h1-4H,5,17H2,(H,18,19)(H,20,21)