(5-azanyl-4-cyano-2-ethoxycarbonyl-thiophen-3-yl)methyl-[2-(tert-butylamino)-2-oxidanylidene-ethyl]-methyl-azanium

Systemtic Name: (5-azanyl-4-cyano-2-ethoxycarbonyl-thiophen-3-yl)methyl-[2-(tert-butylamino)-2-oxidanylidene-ethyl]-methyl-azanium Openeye Name: (5-amino-4-cyano-2-ethoxycarbonyl-3-thienyl)methyl-[2-(tert-butylamino)-2-oxo-ethyl]-methyl-ammonium CAS Name: (5-amino-4-cyano-2-ethoxycarbonyl-3-thiophenyl)methyl-[2-(tert-butylamino)-2-oxoethyl]-methylammonium IUPAC Name: (5-amino-4-cyano-2-ethoxycarbonylthiophen-3-yl)methyl-[2-(tert-butylamino)-2-oxoethyl]-methylazanium Traditional Name: (5-amino-2-carbethoxy-4-cyano-3-thienyl)methyl-[2-(tert-butylamino)-2-keto-ethyl]-methyl-ammonium Formula: C16H25N4O3S+ MolecularWeight: 353.4597

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)N)C#N)C[NH+](C)CC(=O)NC(C)(C)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)N)C#N)C[NH+](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)/p+1