2-[1-(phenylmethyl)-3-phenylsulfanyl-indol-2-yl]ethanoic acid

Systemtic Name: 2-[1-(phenylmethyl)-3-phenylsulfanyl-indol-2-yl]ethanoic acid Openeye Name: 2-(1-benzyl-3-phenylsulfanyl-indol-2-yl)acetic acid CAS Name: 2-[1-(phenylmethyl)-3-(phenylthio)-2-indolyl]acetic acid IUPAC Name: 2-(1-benzyl-3-phenylsulfanylindol-2-yl)acetic acid Traditional Name: 2-[1-benzyl-3-(phenylthio)indol-2-yl]acetic acid Formula: C23H19NO2S MolecularWeight: 373.46746

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C3=CC=CC=C3C(=C2CC(=O)O)SC4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)CN2C3=CC=CC=C3C(=C2CC(=O)O)SC4=CC=CC=C4

InChI

InChI=1S/C23H19NO2S/c25-22(26)15-21-23(27-18-11-5-2-6-12-18)19-13-7-8-14-20(19)24(21)16-17-9-3-1-4-10-17/h1-14H,15-16H2,(H,25,26)