(5-azanyl-4-cyano-2-ethoxycarbonyl-thiophen-3-yl)methyl-[2-[(2,6-dimethylphenyl)amino]-2-oxidanylidene-ethyl]-methyl-azanium

Systemtic Name: (5-azanyl-4-cyano-2-ethoxycarbonyl-thiophen-3-yl)methyl-[2-[(2,6-dimethylphenyl)amino]-2-oxidanylidene-ethyl]-methyl-azanium Openeye Name: (5-amino-4-cyano-2-ethoxycarbonyl-3-thienyl)methyl-[2-(2,6-dimethylanilino)-2-oxo-ethyl]-methyl-ammonium CAS Name: (5-amino-4-cyano-2-ethoxycarbonyl-3-thiophenyl)methyl-[2-(2,6-dimethylanilino)-2-oxoethyl]-methylammonium IUPAC Name: (5-amino-4-cyano-2-ethoxycarbonylthiophen-3-yl)methyl-[2-(2,6-dimethylanilino)-2-oxoethyl]-methylazanium Traditional Name: (5-amino-2-carbethoxy-4-cyano-3-thienyl)methyl-[2-(2,6-dimethylanilino)-2-keto-ethyl]-methyl-ammonium Formula: C20H25N4O3S+ MolecularWeight: 401.5025

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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)NC2=C(C=CC=C2C)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)N)C#N)C[NH+](C)CC(=O)NC2=C(C=CC=C2C)C

InChI

InChI=1S/C20H24N4O3S/c1-5-27-20(26)18-15(14(9-21)19(22)28-18)10-24(4)11-16(25)23-17-12(2)7-6-8-13(17)3/h6-8H,5,10-11,22H2,1-4H3,(H,23,25)/p+1