methyl 3-[3-tert-butylsulfanyl-1-[(4-chlorophenyl)methyl]-4,6-dimethyl-5-propan-2-yl-indol-2-yl]propanoate

Systemtic Name: methyl 3-[3-tert-butylsulfanyl-1-[(4-chlorophenyl)methyl]-4,6-dimethyl-5-propan-2-yl-indol-2-yl]propanoate Openeye Name: methyl 3-[3-tert-butylsulfanyl-1-[(4-chlorophenyl)methyl]-5-isopropyl-4,6-dimethyl-indol-2-yl]propanoate CAS Name: 3-[3-(tert-butylthio)-1-[(4-chlorophenyl)methyl]-4,6-dimethyl-5-propan-2-yl-2-indolyl]propanoic acid methyl ester IUPAC Name: methyl 3-[3-tert-butylsulfanyl-1-[(4-chlorophenyl)methyl]-4,6-dimethyl-5-propan-2-ylindol-2-yl]propanoate Traditional Name: 3-[3-(tert-butylthio)-1-(4-chlorobenzyl)-5-isopropyl-4,6-dimethyl-indol-2-yl]propionic acid methyl ester Formula: C28H36ClNO2S MolecularWeight: 486.10894

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C(=C1C(C)C)C)C(=C(N2CC3=CC=C(C=C3)Cl)CCC(=O)OC)SC(C)(C)C

Isomeric SMILES

CC1=CC2=C(C(=C1C(C)C)C)C(=C(N2CC3=CC=C(C=C3)Cl)CCC(=O)OC)SC(C)(C)C

InChI

InChI=1S/C28H36ClNO2S/c1-17(2)25-18(3)15-23-26(19(25)4)27(33-28(5,6)7)22(13-14-24(31)32-8)30(23)16-20-9-11-21(29)12-10-20/h9-12,15,17H,13-14,16H2,1-8H3