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

Systemtic Name: 2-[5-methoxy-2-methyl-1-[(4-methylsulfanylphenyl)methyl]indol-3-yl]-3-methyl-butanoic acid Openeye Name: 2-[5-methoxy-2-methyl-1-[(4-methylsulfanylphenyl)methyl]indol-3-yl]-3-methyl-butanoic acid CAS Name: 2-[5-methoxy-2-methyl-1-[[4-(methylthio)phenyl]methyl]-3-indolyl]-3-methylbutanoic acid IUPAC Name: 2-[5-methoxy-2-methyl-1-[(4-methylsulfanylphenyl)methyl]indol-3-yl]-3-methylbutanoic acid Traditional Name: 2-[5-methoxy-2-methyl-1-[4-(methylthio)benzyl]indol-3-yl]-3-methyl-butyric acid Formula: C23H27NO3S MolecularWeight: 397.53038

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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)C)C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C23H27NO3S/c1-14(2)21(23(25)26)22-15(3)24(13-16-6-9-18(28-5)10-7-16)20-11-8-17(27-4)12-19(20)22/h6-12,14,21H,13H2,1-5H3,(H,25,26)