ethyl 5-azanyl-3-[[[2-(tert-butylamino)-2-oxidanylidene-ethyl]-methyl-amino]methyl]-4-cyano-thiophene-2-carboxylate

Systemtic Name: ethyl 5-azanyl-3-[[[2-(tert-butylamino)-2-oxidanylidene-ethyl]-methyl-amino]methyl]-4-cyano-thiophene-2-carboxylate Openeye Name: ethyl 5-amino-3-[[[2-(tert-butylamino)-2-oxo-ethyl]-methyl-amino]methyl]-4-cyano-thiophene-2-carboxylate CAS Name: 5-amino-3-[[[2-(tert-butylamino)-2-oxoethyl]-methylamino]methyl]-4-cyano-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-3-[[[2-(tert-butylamino)-2-oxoethyl]-methylamino]methyl]-4-cyanothiophene-2-carboxylate Traditional Name: 5-amino-3-[[[2-(tert-butylamino)-2-keto-ethyl]-methyl-amino]methyl]-4-cyano-thiophene-2-carboxylic acid ethyl ester Formula: C16H24N4O3S MolecularWeight: 352.45176

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)N)C#N)CN(C)CC(=O)NC(C)(C)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)N)C#N)CN(C)CC(=O)NC(C)(C)C

InChI

InChI=1S/C16H24N4O3S/c1-6-23-15(22)13-11(10(7-17)14(18)24-13)8-20(5)9-12(21)19-16(2,3)4/h6,8-9,18H2,1-5H3,(H,19,21)