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

Systemtic Name: 2-(2-ethoxycarbonyl-5-methyl-1H-indol-3-yl)ethyl-[methylsulfanyl-(naphthalen-1-ylamino)methylidene]azanium Openeye Name: 2-(2-ethoxycarbonyl-5-methyl-1H-indol-3-yl)ethyl-[methylsulfanyl-(1-naphthylamino)methylene]ammonium CAS Name: 2-(2-ethoxycarbonyl-5-methyl-1H-indol-3-yl)ethyl-[(methylthio)-(1-naphthalenylamino)methylidene]ammonium IUPAC Name: 2-(2-ethoxycarbonyl-5-methyl-1H-indol-3-yl)ethyl-[methylsulfanyl-(naphthalen-1-ylamino)methylidene]azanium Traditional Name: 2-(2-carbethoxy-5-methyl-1H-indol-3-yl)ethyl-[(methylthio)-(1-naphthylamino)methylene]ammonium Formula: C26H28N3O2S+ MolecularWeight: 446.58442

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(N1)C=CC(=C2)C)CC[NH+]=C(NC3=CC=CC4=CC=CC=C43)SC

Isomeric SMILES

CCOC(=O)C1=C(C2=C(N1)C=CC(=C2)C)CC[NH+]=C(NC3=CC=CC4=CC=CC=C43)SC

InChI

InChI=1S/C26H27N3O2S/c1-4-31-25(30)24-20(21-16-17(2)12-13-23(21)28-24)14-15-27-26(32-3)29-22-11-7-9-18-8-5-6-10-19(18)22/h5-13,16,28H,4,14-15H2,1-3H3,(H,27,29)/p+1