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

Systemtic Name: (5-azanyl-4-cyano-2-ethoxycarbonyl-thiophen-3-yl)methyl-methyl-[2-[(2-methylsulfanylphenyl)amino]-2-oxidanylidene-ethyl]azanium Openeye Name: (5-amino-4-cyano-2-ethoxycarbonyl-3-thienyl)methyl-methyl-[2-(2-methylsulfanylanilino)-2-oxo-ethyl]ammonium CAS Name: (5-amino-4-cyano-2-ethoxycarbonyl-3-thiophenyl)methyl-methyl-[2-[2-(methylthio)anilino]-2-oxoethyl]ammonium IUPAC Name: (5-amino-4-cyano-2-ethoxycarbonylthiophen-3-yl)methyl-methyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]azanium Traditional Name: (5-amino-2-carbethoxy-4-cyano-3-thienyl)methyl-[2-keto-2-[2-(methylthio)anilino]ethyl]-methyl-ammonium Formula: C19H23N4O3S2+ MolecularWeight: 419.54092

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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=CC=CC=C2SC

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)N)C#N)C[NH+](C)CC(=O)NC2=CC=CC=C2SC

InChI

InChI=1S/C19H22N4O3S2/c1-4-26-19(25)17-13(12(9-20)18(21)28-17)10-23(2)11-16(24)22-14-7-5-6-8-15(14)27-3/h5-8H,4,10-11,21H2,1-3H3,(H,22,24)/p+1