2-(2-ethoxycarbonyl-5-methyl-1H-indol-3-yl)ethyl-[methylsulfanyl(phenylazanyl)methylidene]azanium

Systemtic Name: 2-(2-ethoxycarbonyl-5-methyl-1H-indol-3-yl)ethyl-[methylsulfanyl(phenylazanyl)methylidene]azanium Openeye Name: [anilino(methylsulfanyl)methylene]-[2-(2-ethoxycarbonyl-5-methyl-1H-indol-3-yl)ethyl]ammonium CAS Name: [anilino-(methylthio)methylidene]-[2-(2-ethoxycarbonyl-5-methyl-1H-indol-3-yl)ethyl]ammonium IUPAC Name: [anilino(methylsulfanyl)methylidene]-[2-(2-ethoxycarbonyl-5-methyl-1H-indol-3-yl)ethyl]azanium Traditional Name: [anilino-(methylthio)methylene]-[2-(2-carbethoxy-5-methyl-1H-indol-3-yl)ethyl]ammonium Formula: C22H26N3O2S+ MolecularWeight: 396.52574

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(N1)C=CC(=C2)C)CC[NH+]=C(NC3=CC=CC=C3)SC

Isomeric SMILES

CCOC(=O)C1=C(C2=C(N1)C=CC(=C2)C)CC[NH+]=C(NC3=CC=CC=C3)SC

InChI

InChI=1S/C22H25N3O2S/c1-4-27-21(26)20-17(18-14-15(2)10-11-19(18)25-20)12-13-23-22(28-3)24-16-8-6-5-7-9-16/h5-11,14,25H,4,12-13H2,1-3H3,(H,23,24)/p+1