tert-butyl 5-[3-[1-cyanoethenyl(cyanomethyl)amino]propyl]thiophene-2-carboxylate

Systemtic Name: tert-butyl 5-[3-[1-cyanoethenyl(cyanomethyl)amino]propyl]thiophene-2-carboxylate Openeye Name: tert-butyl 5-[3-[cyanomethyl(1-cyanovinyl)amino]propyl]thiophene-2-carboxylate CAS Name: 5-[3-[1-cyanoethenyl(cyanomethyl)amino]propyl]-2-thiophenecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 5-[3-[1-cyanoethenyl(cyanomethyl)amino]propyl]thiophene-2-carboxylate Traditional Name: 5-[3-[cyanomethyl(1-cyanovinyl)amino]propyl]thiophene-2-carboxylic acid tert-butyl ester Formula: C17H21N3O2S MolecularWeight: 331.43254

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1=CC=C(S1)CCCN(CC#N)C(=C)C#N

Isomeric SMILES

CC(C)(C)OC(=O)C1=CC=C(S1)CCCN(CC#N)C(=C)C#N

InChI

InChI=1S/C17H21N3O2S/c1-13(12-19)20(11-9-18)10-5-6-14-7-8-15(23-14)16(21)22-17(2,3)4/h7-8H,1,5-6,10-11H2,2-4H3