[5-azanyl-4-ethoxycarbonyl-2-(methylcarbamoyl)thiophen-3-yl]methyl-methyl-[(4-methylsulfanylphenyl)methyl]azanium

Systemtic Name: [5-azanyl-4-ethoxycarbonyl-2-(methylcarbamoyl)thiophen-3-yl]methyl-methyl-[(4-methylsulfanylphenyl)methyl]azanium Openeye Name: [5-amino-4-ethoxycarbonyl-2-(methylcarbamoyl)-3-thienyl]methyl-methyl-[(4-methylsulfanylphenyl)methyl]ammonium CAS Name: [5-amino-4-ethoxycarbonyl-2-(methylcarbamoyl)-3-thiophenyl]methyl-methyl-[[4-(methylthio)phenyl]methyl]ammonium IUPAC Name: [5-amino-4-ethoxycarbonyl-2-(methylcarbamoyl)thiophen-3-yl]methyl-methyl-[(4-methylsulfanylphenyl)methyl]azanium Traditional Name: [5-amino-4-carbethoxy-2-(methylcarbamoyl)-3-thienyl]methyl-methyl-[4-(methylthio)benzyl]ammonium Formula: C19H26N3O3S2+ MolecularWeight: 408.55804

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C[NH+](C)CC2=CC=C(C=C2)SC)C(=O)NC)N

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C[NH+](C)CC2=CC=C(C=C2)SC)C(=O)NC)N

InChI

InChI=1S/C19H25N3O3S2/c1-5-25-19(24)15-14(16(18(23)21-2)27-17(15)20)11-22(3)10-12-6-8-13(26-4)9-7-12/h6-9H,5,10-11,20H2,1-4H3,(H,21,23)/p+1