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

Systemtic Name: ethyl 3-[3-tert-butylsulfanyl-1-[(4-chlorophenyl)methyl]-5-prop-2-enoxy-indol-2-yl]-2,2-dimethyl-propanoate Openeye Name: ethyl 3-[5-allyloxy-3-tert-butylsulfanyl-1-[(4-chlorophenyl)methyl]indol-2-yl]-2,2-dimethyl-propanoate CAS Name: 3-[3-(tert-butylthio)-1-[(4-chlorophenyl)methyl]-5-prop-2-enoxy-2-indolyl]-2,2-dimethylpropanoic acid ethyl ester IUPAC Name: ethyl 3-[3-tert-butylsulfanyl-1-[(4-chlorophenyl)methyl]-5-prop-2-enoxyindol-2-yl]-2,2-dimethylpropanoate Traditional Name: 3-[5-allyloxy-3-(tert-butylthio)-1-(4-chlorobenzyl)indol-2-yl]-2,2-dimethyl-propionic acid ethyl ester Formula: C29H36ClNO3S MolecularWeight: 514.11904

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H36ClNO3S/c1-8-16-34-22-14-15-24-23(17-22)26(35-28(3,4)5)25(18-29(6,7)27(32)33-9-2)31(24)19-20-10-12-21(30)13-11-20/h8,10-15,17H,1,9,16,18-19H2,2-7H3