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

Systemtic Name: ethyl 3-[1-[(4-bromophenyl)methyl]-3-tert-butylsulfanyl-5-methoxy-indol-2-yl]-2,2-dimethyl-propanoate Openeye Name: ethyl 3-[1-[(4-bromophenyl)methyl]-3-tert-butylsulfanyl-5-methoxy-indol-2-yl]-2,2-dimethyl-propanoate CAS Name: 3-[1-[(4-bromophenyl)methyl]-3-(tert-butylthio)-5-methoxy-2-indolyl]-2,2-dimethylpropanoic acid ethyl ester IUPAC Name: ethyl 3-[1-[(4-bromophenyl)methyl]-3-tert-butylsulfanyl-5-methoxyindol-2-yl]-2,2-dimethylpropanoate Traditional Name: 3-[1-(4-bromobenzyl)-3-(tert-butylthio)-5-methoxy-indol-2-yl]-2,2-dimethyl-propionic acid ethyl ester Formula: C27H34BrNO3S MolecularWeight: 532.53276

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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)OC)SC(C)(C)C

Isomeric SMILES

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

InChI

InChI=1S/C27H34BrNO3S/c1-8-32-25(30)27(5,6)16-23-24(33-26(2,3)4)21-15-20(31-7)13-14-22(21)29(23)17-18-9-11-19(28)12-10-18/h9-15H,8,16-17H2,1-7H3