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

Systemtic Name: methyl 3-[3-tert-butylsulfanyl-1-[(4-chlorophenyl)methyl]-5-oxidanyl-4-prop-2-enyl-indol-2-yl]-2,2-dimethyl-propanoate Openeye Name: methyl 3-[4-allyl-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-4-prop-2-enyl-2-indolyl]-2,2-dimethylpropanoic acid methyl ester IUPAC Name: methyl 3-[3-tert-butylsulfanyl-1-[(4-chlorophenyl)methyl]-5-hydroxy-4-prop-2-enylindol-2-yl]-2,2-dimethylpropanoate Traditional Name: 3-[4-allyl-3-(tert-butylthio)-1-(4-chlorobenzyl)-5-hydroxy-indol-2-yl]-2,2-dimethyl-propionic acid methyl ester Formula: C28H34ClNO3S MolecularWeight: 500.09246

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C28H34ClNO3S/c1-8-9-20-23(31)15-14-21-24(20)25(34-27(2,3)4)22(16-28(5,6)26(32)33-7)30(21)17-18-10-12-19(29)13-11-18/h8,10-15,31H,1,9,16-17H2,2-7H3