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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1NC(=O)C[NH+](C)CC2=C(SC(=C2C#N)N)C(=O)OCC

Isomeric SMILES

CCC1=CC=CC=C1NC(=O)C[NH+](C)CC2=C(SC(=C2C#N)N)C(=O)OCC

InChI

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