2-(1,5-dimethyl-3-phenylsulfanyl-indol-2-yl)ethanoic acid

Systemtic Name: 2-(1,5-dimethyl-3-phenylsulfanyl-indol-2-yl)ethanoic acid Openeye Name: 2-(1,5-dimethyl-3-phenylsulfanyl-indol-2-yl)acetic acid CAS Name: 2-[1,5-dimethyl-3-(phenylthio)-2-indolyl]acetic acid IUPAC Name: 2-(1,5-dimethyl-3-phenylsulfanylindol-2-yl)acetic acid Traditional Name: 2-[1,5-dimethyl-3-(phenylthio)indol-2-yl]acetic acid Formula: C18H17NO2S MolecularWeight: 311.39808

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N(C(=C2SC3=CC=CC=C3)CC(=O)O)C

Isomeric SMILES

CC1=CC2=C(C=C1)N(C(=C2SC3=CC=CC=C3)CC(=O)O)C

InChI

InChI=1S/C18H17NO2S/c1-12-8-9-15-14(10-12)18(16(19(15)2)11-17(20)21)22-13-6-4-3-5-7-13/h3-10H,11H2,1-2H3,(H,20,21)