3-[1-(phenylmethylsulfanyl)indol-2-yl]propanoic acid

Systemtic Name: 3-[1-(phenylmethylsulfanyl)indol-2-yl]propanoic acid Openeye Name: 3-(1-benzylsulfanylindol-2-yl)propanoic acid CAS Name: 3-[1-(phenylmethylthio)-2-indolyl]propanoic acid IUPAC Name: 3-(1-benzylsulfanylindol-2-yl)propanoic acid Traditional Name: 3-[1-(benzylthio)indol-2-yl]propionic acid Formula: C18H17NO2S MolecularWeight: 311.39808

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSN2C3=CC=CC=C3C=C2CCC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CSN2C3=CC=CC=C3C=C2CCC(=O)O

InChI

InChI=1S/C18H17NO2S/c20-18(21)11-10-16-12-15-8-4-5-9-17(15)19(16)22-13-14-6-2-1-3-7-14/h1-9,12H,10-11,13H2,(H,20,21)