methyl 4-(1H-indol-2-ylsulfanyl)butanoate

Systemtic Name: methyl 4-(1H-indol-2-ylsulfanyl)butanoate Openeye Name: methyl 4-(1H-indol-2-ylsulfanyl)butanoate CAS Name: 4-(1H-indol-2-ylthio)butanoic acid methyl ester IUPAC Name: methyl 4-(1H-indol-2-ylsulfanyl)butanoate Traditional Name: 4-(1H-indol-2-ylthio)butyric acid methyl ester Formula: C13H15NO2S MolecularWeight: 249.3287

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCSC1=CC2=CC=CC=C2N1

Isomeric SMILES

COC(=O)CCCSC1=CC2=CC=CC=C2N1

InChI

InChI=1S/C13H15NO2S/c1-16-13(15)7-4-8-17-12-9-10-5-2-3-6-11(10)14-12/h2-3,5-6,9,14H,4,7-8H2,1H3