3-(3-phenylsulfanyl-1H-indol-2-yl)propanoic acid

Systemtic Name: 3-(3-phenylsulfanyl-1H-indol-2-yl)propanoic acid Openeye Name: 3-(3-phenylsulfanyl-1H-indol-2-yl)propanoic acid CAS Name: 3-[3-(phenylthio)-1H-indol-2-yl]propanoic acid IUPAC Name: 3-(3-phenylsulfanyl-1H-indol-2-yl)propanoic acid Traditional Name: 3-[3-(phenylthio)-1H-indol-2-yl]propionic acid Formula: C17H15NO2S MolecularWeight: 297.3715

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H15NO2S/c19-16(20)11-10-15-17(21-12-6-2-1-3-7-12)13-8-4-5-9-14(13)18-15/h1-9,18H,10-11H2,(H,19,20)