5-chloranyl-2-(2-cyanoethanoylamino)-4-[4-(cyanomethoxy)phenyl]thiophene-3-carboxylic acid

Systemtic Name: 5-chloranyl-2-(2-cyanoethanoylamino)-4-[4-(cyanomethoxy)phenyl]thiophene-3-carboxylic acid Openeye Name: 5-chloro-2-[(2-cyanoacetyl)amino]-4-[4-(cyanomethoxy)phenyl]thiophene-3-carboxylic acid CAS Name: 5-chloro-4-[4-(cyanomethoxy)phenyl]-2-[(2-cyano-1-oxoethyl)amino]-3-thiophenecarboxylic acid IUPAC Name: 5-chloro-2-[(2-cyanoacetyl)amino]-4-[4-(cyanomethoxy)phenyl]thiophene-3-carboxylic acid Traditional Name: 5-chloro-2-[(2-cyanoacetyl)amino]-4-[4-(cyanomethoxy)phenyl]-3-thenoic acid Formula: C16H10ClN3O4S MolecularWeight: 375.7863

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H10ClN3O4S/c17-14-12(9-1-3-10(4-2-9)24-8-7-19)13(16(22)23)15(25-14)20-11(21)5-6-18/h1-4H,5,8H2,(H,20,21)(H,22,23)