2-(phenylsulfanylmethyl)-1H-indole-5-carboxylic acid

Systemtic Name: 2-(phenylsulfanylmethyl)-1H-indole-5-carboxylic acid Openeye Name: 2-(phenylsulfanylmethyl)-1H-indole-5-carboxylic acid CAS Name: 2-[(phenylthio)methyl]-1H-indole-5-carboxylic acid IUPAC Name: 2-(phenylsulfanylmethyl)-1H-indole-5-carboxylic acid Traditional Name: 2-[(phenylthio)methyl]-1H-indole-5-carboxylic acid Formula: C16H13NO2S MolecularWeight: 283.34492

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SCC2=CC3=C(N2)C=CC(=C3)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)SCC2=CC3=C(N2)C=CC(=C3)C(=O)O

InChI

InChI=1S/C16H13NO2S/c18-16(19)11-6-7-15-12(8-11)9-13(17-15)10-20-14-4-2-1-3-5-14/h1-9,17H,10H2,(H,18,19)