2-[5-methoxy-2-methyl-1-[(4-methylsulfanylphenyl)methyl]indol-3-yl]propanoic acid

Systemtic Name: 2-[5-methoxy-2-methyl-1-[(4-methylsulfanylphenyl)methyl]indol-3-yl]propanoic acid Openeye Name: 2-[5-methoxy-2-methyl-1-[(4-methylsulfanylphenyl)methyl]indol-3-yl]propanoic acid CAS Name: 2-[5-methoxy-2-methyl-1-[[4-(methylthio)phenyl]methyl]-3-indolyl]propanoic acid IUPAC Name: 2-[5-methoxy-2-methyl-1-[(4-methylsulfanylphenyl)methyl]indol-3-yl]propanoic acid Traditional Name: 2-[5-methoxy-2-methyl-1-[4-(methylthio)benzyl]indol-3-yl]propionic acid Formula: C21H23NO3S MolecularWeight: 369.47722

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(N1CC3=CC=C(C=C3)SC)C=CC(=C2)OC)C(C)C(=O)O

Isomeric SMILES

CC1=C(C2=C(N1CC3=CC=C(C=C3)SC)C=CC(=C2)OC)C(C)C(=O)O

InChI

InChI=1S/C21H23NO3S/c1-13(21(23)24)20-14(2)22(12-15-5-8-17(26-4)9-6-15)19-10-7-16(25-3)11-18(19)20/h5-11,13H,12H2,1-4H3,(H,23,24)