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

Systemtic Name: methyl 3-[3-tert-butylsulfanyl-1-[(4-chlorophenyl)methyl]-5-oxidanyl-indol-2-yl]-2,2-dimethyl-propanoate Openeye Name: methyl 3-[3-tert-butylsulfanyl-1-[(4-chlorophenyl)methyl]-5-hydroxy-indol-2-yl]-2,2-dimethyl-propanoate CAS Name: 3-[3-(tert-butylthio)-1-[(4-chlorophenyl)methyl]-5-hydroxy-2-indolyl]-2,2-dimethylpropanoic acid methyl ester IUPAC Name: methyl 3-[3-tert-butylsulfanyl-1-[(4-chlorophenyl)methyl]-5-hydroxyindol-2-yl]-2,2-dimethylpropanoate Traditional Name: 3-[3-(tert-butylthio)-1-(4-chlorobenzyl)-5-hydroxy-indol-2-yl]-2,2-dimethyl-propionic acid methyl ester Formula: C25H30ClNO3S MolecularWeight: 460.0286

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)SC1=C(N(C2=C1C=C(C=C2)O)CC3=CC=C(C=C3)Cl)CC(C)(C)C(=O)OC

Isomeric SMILES

CC(C)(C)SC1=C(N(C2=C1C=C(C=C2)O)CC3=CC=C(C=C3)Cl)CC(C)(C)C(=O)OC

InChI

InChI=1S/C25H30ClNO3S/c1-24(2,3)31-22-19-13-18(28)11-12-20(19)27(15-16-7-9-17(26)10-8-16)21(22)14-25(4,5)23(29)30-6/h7-13,28H,14-15H2,1-6H3