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

Systemtic Name: 2-[5-methoxy-2-methyl-1-[(3-methylsulfanylphenyl)methyl]indol-3-yl]ethanoic acid Openeye Name: 2-[5-methoxy-2-methyl-1-[(3-methylsulfanylphenyl)methyl]indol-3-yl]acetic acid CAS Name: 2-[5-methoxy-2-methyl-1-[[3-(methylthio)phenyl]methyl]-3-indolyl]acetic acid IUPAC Name: 2-[5-methoxy-2-methyl-1-[(3-methylsulfanylphenyl)methyl]indol-3-yl]acetic acid Traditional Name: 2-[5-methoxy-2-methyl-1-[3-(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=C3)SC)C=CC(=C2)OC)CC(=O)O

Isomeric SMILES

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

InChI

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