3-phenylsulfanyl-1H-indole-2-carboxylic acid

Systemtic Name: 3-phenylsulfanyl-1H-indole-2-carboxylic acid Openeye Name: 3-phenylsulfanyl-1H-indole-2-carboxylic acid CAS Name: 3-(phenylthio)-1H-indole-2-carboxylic acid IUPAC Name: 3-phenylsulfanyl-1H-indole-2-carboxylic acid Traditional Name: 3-(phenylthio)-1H-indole-2-carboxylic acid Formula: C15H11NO2S MolecularWeight: 269.31834

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SC2=C(NC3=CC=CC=C32)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)SC2=C(NC3=CC=CC=C32)C(=O)O

InChI

InChI=1S/C15H11NO2S/c17-15(18)13-14(19-10-6-2-1-3-7-10)11-8-4-5-9-12(11)16-13/h1-9,16H,(H,17,18)