3,3-bis(6-methylsulfanyl-1H-indol-3-yl)propanoic acid

Systemtic Name: 3,3-bis(6-methylsulfanyl-1H-indol-3-yl)propanoic acid Openeye Name: 3,3-bis(6-methylsulfanyl-1H-indol-3-yl)propanoic acid CAS Name: 3,3-bis[6-(methylthio)-1H-indol-3-yl]propanoic acid IUPAC Name: 3,3-bis(6-methylsulfanyl-1H-indol-3-yl)propanoic acid Traditional Name: 3,3-bis[6-(methylthio)-1H-indol-3-yl]propionic acid Formula: C21H20N2O2S2 MolecularWeight: 396.5257

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC2=C(C=C1)C(=CN2)C(CC(=O)O)C3=CNC4=C3C=CC(=C4)SC

Isomeric SMILES

CSC1=CC2=C(C=C1)C(=CN2)C(CC(=O)O)C3=CNC4=C3C=CC(=C4)SC

InChI

InChI=1S/C21H20N2O2S2/c1-26-12-3-5-14-17(10-22-19(14)7-12)16(9-21(24)25)18-11-23-20-8-13(27-2)4-6-15(18)20/h3-8,10-11,16,22-23H,9H2,1-2H3,(H,24,25)