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

Systemtic Name: 2-(2-cyanoethanoylamino)-4-[4-(cyanomethoxy)phenyl]thiophene-3-carboxylic acid Openeye Name: 2-[(2-cyanoacetyl)amino]-4-[4-(cyanomethoxy)phenyl]thiophene-3-carboxylic acid CAS Name: 4-[4-(cyanomethoxy)phenyl]-2-[(2-cyano-1-oxoethyl)amino]-3-thiophenecarboxylic acid IUPAC Name: 2-[(2-cyanoacetyl)amino]-4-[4-(cyanomethoxy)phenyl]thiophene-3-carboxylic acid Traditional Name: 2-[(2-cyanoacetyl)amino]-4-[4-(cyanomethoxy)phenyl]-3-thenoic acid Formula: C16H11N3O4S MolecularWeight: 341.34124

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H11N3O4S/c17-6-5-13(20)19-15-14(16(21)22)12(9-24-15)10-1-3-11(4-2-10)23-8-7-18/h1-4,9H,5,8H2,(H,19,20)(H,21,22)