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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(N1CC3=CC=CC=C3SC)C=CC(=C2)OC)CC(=O)O

Isomeric SMILES

CC1=C(C2=C(N1CC3=CC=CC=C3SC)C=CC(=C2)OC)CC(=O)O

InChI

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