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

Systemtic Name: 2-[5-methoxy-1-[(4-methylsulfanylphenyl)methyl]indol-3-yl]propanoic acid Openeye Name: 2-[5-methoxy-1-[(4-methylsulfanylphenyl)methyl]indol-3-yl]propanoic acid CAS Name: 2-[5-methoxy-1-[[4-(methylthio)phenyl]methyl]-3-indolyl]propanoic acid IUPAC Name: 2-[5-methoxy-1-[(4-methylsulfanylphenyl)methyl]indol-3-yl]propanoic acid Traditional Name: 2-[5-methoxy-1-[4-(methylthio)benzyl]indol-3-yl]propionic acid Formula: C20H21NO3S MolecularWeight: 355.45064

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CN(C2=C1C=C(C=C2)OC)CC3=CC=C(C=C3)SC)C(=O)O

Isomeric SMILES

CC(C1=CN(C2=C1C=C(C=C2)OC)CC3=CC=C(C=C3)SC)C(=O)O

InChI

InChI=1S/C20H21NO3S/c1-13(20(22)23)18-12-21(11-14-4-7-16(25-3)8-5-14)19-9-6-15(24-2)10-17(18)19/h4-10,12-13H,11H2,1-3H3,(H,22,23)