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

Systemtic Name: ethyl 3-[1-[(4-bromophenyl)methyl]-3-tert-butylsulfanyl-5-oxidanyl-indol-2-yl]-2,2-dimethyl-propanoate Openeye Name: ethyl 3-[1-[(4-bromophenyl)methyl]-3-tert-butylsulfanyl-5-hydroxy-indol-2-yl]-2,2-dimethyl-propanoate CAS Name: 3-[1-[(4-bromophenyl)methyl]-3-(tert-butylthio)-5-hydroxy-2-indolyl]-2,2-dimethylpropanoic acid ethyl ester IUPAC Name: ethyl 3-[1-[(4-bromophenyl)methyl]-3-tert-butylsulfanyl-5-hydroxyindol-2-yl]-2,2-dimethylpropanoate Traditional Name: 3-[1-(4-bromobenzyl)-3-(tert-butylthio)-5-hydroxy-indol-2-yl]-2,2-dimethyl-propionic acid ethyl ester Formula: C26H32BrNO3S MolecularWeight: 518.50618

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C)(C)CC1=C(C2=C(N1CC3=CC=C(C=C3)Br)C=CC(=C2)O)SC(C)(C)C

Isomeric SMILES

CCOC(=O)C(C)(C)CC1=C(C2=C(N1CC3=CC=C(C=C3)Br)C=CC(=C2)O)SC(C)(C)C

InChI

InChI=1S/C26H32BrNO3S/c1-7-31-24(30)26(5,6)15-22-23(32-25(2,3)4)20-14-19(29)12-13-21(20)28(22)16-17-8-10-18(27)11-9-17/h8-14,29H,7,15-16H2,1-6H3