5-[3-[1-cyanoethenyl(cyanomethyl)amino]propyl]thiophene-2-carboxylic acid

Systemtic Name: 5-[3-[1-cyanoethenyl(cyanomethyl)amino]propyl]thiophene-2-carboxylic acid Openeye Name: 5-[3-[cyanomethyl(1-cyanovinyl)amino]propyl]thiophene-2-carboxylic acid CAS Name: 5-[3-[1-cyanoethenyl(cyanomethyl)amino]propyl]-2-thiophenecarboxylic acid IUPAC Name: 5-[3-[1-cyanoethenyl(cyanomethyl)amino]propyl]thiophene-2-carboxylic acid Traditional Name: 5-[3-[cyanomethyl(1-cyanovinyl)amino]propyl]-2-thenoic acid Formula: C13H13N3O2S MolecularWeight: 275.32622

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Descriptors Computed from Structure

Canonical SMILES:

C=C(C#N)N(CCCC1=CC=C(S1)C(=O)O)CC#N

Isomeric SMILES

C=C(C#N)N(CCCC1=CC=C(S1)C(=O)O)CC#N

InChI

InChI=1S/C13H13N3O2S/c1-10(9-15)16(8-6-14)7-2-3-11-4-5-12(19-11)13(17)18/h4-5H,1-3,7-8H2,(H,17,18)