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

Systemtic Name: 2-(5-chloranyl-2-ethoxycarbonyl-1H-indol-3-yl)ethyl-[methylsulfanyl-(naphthalen-1-ylamino)methylidene]azanium Openeye Name: 2-(5-chloro-2-ethoxycarbonyl-1H-indol-3-yl)ethyl-[methylsulfanyl-(1-naphthylamino)methylene]ammonium CAS Name: 2-(5-chloro-2-ethoxycarbonyl-1H-indol-3-yl)ethyl-[(methylthio)-(1-naphthalenylamino)methylidene]ammonium IUPAC Name: 2-(5-chloro-2-ethoxycarbonyl-1H-indol-3-yl)ethyl-[methylsulfanyl-(naphthalen-1-ylamino)methylidene]azanium Traditional Name: 2-(2-carbethoxy-5-chloro-1H-indol-3-yl)ethyl-[(methylthio)-(1-naphthylamino)methylene]ammonium Formula: C25H25ClN3O2S+ MolecularWeight: 467.0029

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H24ClN3O2S/c1-3-31-24(30)23-19(20-15-17(26)11-12-22(20)28-23)13-14-27-25(32-2)29-21-10-6-8-16-7-4-5-9-18(16)21/h4-12,15,28H,3,13-14H2,1-2H3,(H,27,29)/p+1