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

Systemtic Name: methyl 3-[3-tert-butylsulfanyl-1-[(4-chlorophenyl)methyl]-5-prop-2-enoxy-indol-2-yl]-2,2-dimethyl-propanoate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 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)OCC=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)OCC=C)CC3=CC=C(C=C3)Cl)CC(C)(C)C(=O)OC

InChI

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