methyl 4-[[N-cyano-N'-(2-methylbutan-2-yl)carbamimidoyl]amino]thiophene-2-carboxylate

Systemtic Name: methyl 4-[[N-cyano-N'-(2-methylbutan-2-yl)carbamimidoyl]amino]thiophene-2-carboxylate Openeye Name: methyl 4-[[N-cyano-N'-(1,1-dimethylpropyl)carbamimidoyl]amino]thiophene-2-carboxylate CAS Name: 4-[[(cyanoamino)-(2-methylbutan-2-ylimino)methyl]amino]-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 4-[[N-cyano-N'-(2-methylbutan-2-yl)carbamimidoyl]amino]thiophene-2-carboxylate Traditional Name: 4-[(N'-tert-amyl-N-cyano-amidino)amino]thiophene-2-carboxylic acid methyl ester Formula: C13H18N4O2S MolecularWeight: 294.37262

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)N=C(NC#N)NC1=CSC(=C1)C(=O)OC

Isomeric SMILES

CCC(C)(C)N=C(NC#N)NC1=CSC(=C1)C(=O)OC

InChI

InChI=1S/C13H18N4O2S/c1-5-13(2,3)17-12(15-8-14)16-9-6-10(20-7-9)11(18)19-4/h6-7H,5H2,1-4H3,(H2,15,16,17)