2-(5-methoxy-1-methyl-3-phenylsulfanyl-indol-2-yl)ethanoic acid

Systemtic Name: 2-(5-methoxy-1-methyl-3-phenylsulfanyl-indol-2-yl)ethanoic acid Openeye Name: 2-(5-methoxy-1-methyl-3-phenylsulfanyl-indol-2-yl)acetic acid CAS Name: 2-[5-methoxy-1-methyl-3-(phenylthio)-2-indolyl]acetic acid IUPAC Name: 2-(5-methoxy-1-methyl-3-phenylsulfanylindol-2-yl)acetic acid Traditional Name: 2-[5-methoxy-1-methyl-3-(phenylthio)indol-2-yl]acetic acid Formula: C18H17NO3S MolecularWeight: 327.39748

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)OC)C(=C1CC(=O)O)SC3=CC=CC=C3

Isomeric SMILES

CN1C2=C(C=C(C=C2)OC)C(=C1CC(=O)O)SC3=CC=CC=C3

InChI

InChI=1S/C18H17NO3S/c1-19-15-9-8-12(22-2)10-14(15)18(16(19)11-17(20)21)23-13-6-4-3-5-7-13/h3-10H,11H2,1-2H3,(H,20,21)