methyl 2-[3-(1H-indol-3-yl)propylimino]-2-methylsulfanyl-ethanoate

Systemtic Name: methyl 2-[3-(1H-indol-3-yl)propylimino]-2-methylsulfanyl-ethanoate Openeye Name: methyl 2-[3-(1H-indol-3-yl)propylimino]-2-methylsulfanyl-acetate CAS Name: 2-[3-(1H-indol-3-yl)propylimino]-2-(methylthio)acetic acid methyl ester IUPAC Name: methyl 2-[3-(1H-indol-3-yl)propylimino]-2-methylsulfanylacetate Traditional Name: 2-[3-(1H-indol-3-yl)propylimino]-2-(methylthio)acetic acid methyl ester Formula: C15H18N2O2S MolecularWeight: 290.38062

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(=NCCCC1=CNC2=CC=CC=C21)SC

Isomeric SMILES

COC(=O)C(=NCCCC1=CNC2=CC=CC=C21)SC

InChI

InChI=1S/C15H18N2O2S/c1-19-15(18)14(20-2)16-9-5-6-11-10-17-13-8-4-3-7-12(11)13/h3-4,7-8,10,17H,5-6,9H2,1-2H3