2-(1H-indol-2-ylsulfanyl)-2-phenyl-butanoic acid

Systemtic Name: 2-(1H-indol-2-ylsulfanyl)-2-phenyl-butanoic acid Openeye Name: 2-(1H-indol-2-ylsulfanyl)-2-phenyl-butanoic acid CAS Name: 2-(1H-indol-2-ylthio)-2-phenylbutanoic acid IUPAC Name: 2-(1H-indol-2-ylsulfanyl)-2-phenylbutanoic acid Traditional Name: 2-(1H-indol-2-ylthio)-2-phenyl-butyric acid Formula: C18H17NO2S MolecularWeight: 311.39808

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC=CC=C1)(C(=O)O)SC2=CC3=CC=CC=C3N2

Isomeric SMILES

CCC(C1=CC=CC=C1)(C(=O)O)SC2=CC3=CC=CC=C3N2

InChI

InChI=1S/C18H17NO2S/c1-2-18(17(20)21,14-9-4-3-5-10-14)22-16-12-13-8-6-7-11-15(13)19-16/h3-12,19H,2H2,1H3,(H,20,21)