methyl 3-[3-tert-butylsulfanyl-1-[(4-tert-butylsulfanylphenyl)methyl]-5-oxidanyl-indol-2-yl]-2,2-dimethyl-propanoate

Systemtic Name: methyl 3-[3-tert-butylsulfanyl-1-[(4-tert-butylsulfanylphenyl)methyl]-5-oxidanyl-indol-2-yl]-2,2-dimethyl-propanoate Openeye Name: methyl 3-[3-tert-butylsulfanyl-1-[(4-tert-butylsulfanylphenyl)methyl]-5-hydroxy-indol-2-yl]-2,2-dimethyl-propanoate CAS Name: 3-[3-(tert-butylthio)-1-[[4-(tert-butylthio)phenyl]methyl]-5-hydroxy-2-indolyl]-2,2-dimethylpropanoic acid methyl ester IUPAC Name: methyl 3-[3-tert-butylsulfanyl-1-[(4-tert-butylsulfanylphenyl)methyl]-5-hydroxyindol-2-yl]-2,2-dimethylpropanoate Traditional Name: 3-[3-(tert-butylthio)-1-[4-(tert-butylthio)benzyl]-5-hydroxy-indol-2-yl]-2,2-dimethyl-propionic acid methyl ester Formula: C29H39NO3S2 MolecularWeight: 513.75486

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)SC1=CC=C(C=C1)CN2C3=C(C=C(C=C3)O)C(=C2CC(C)(C)C(=O)OC)SC(C)(C)C

Isomeric SMILES

CC(C)(C)SC1=CC=C(C=C1)CN2C3=C(C=C(C=C3)O)C(=C2CC(C)(C)C(=O)OC)SC(C)(C)C

InChI

InChI=1S/C29H39NO3S2/c1-27(2,3)34-21-13-10-19(11-14-21)18-30-23-15-12-20(31)16-22(23)25(35-28(4,5)6)24(30)17-29(7,8)26(32)33-9/h10-16,31H,17-18H2,1-9H3