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

Systemtic Name: 3-[3-butylsulfanyl-1-[(4-chlorophenyl)methyl]-4,6-dimethyl-5-propan-2-yl-indol-2-yl]propanoic acid Openeye Name: 3-[3-butylsulfanyl-1-[(4-chlorophenyl)methyl]-5-isopropyl-4,6-dimethyl-indol-2-yl]propanoic acid CAS Name: 3-[3-(butylthio)-1-[(4-chlorophenyl)methyl]-4,6-dimethyl-5-propan-2-yl-2-indolyl]propanoic acid IUPAC Name: 3-[3-butylsulfanyl-1-[(4-chlorophenyl)methyl]-4,6-dimethyl-5-propan-2-ylindol-2-yl]propanoic acid Traditional Name: 3-[3-(butylthio)-1-(4-chlorobenzyl)-5-isopropyl-4,6-dimethyl-indol-2-yl]propionic acid Formula: C27H34ClNO2S MolecularWeight: 472.08236

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSC1=C(N(C2=C1C(=C(C(=C2)C)C(C)C)C)CC3=CC=C(C=C3)Cl)CCC(=O)O

Isomeric SMILES

CCCCSC1=C(N(C2=C1C(=C(C(=C2)C)C(C)C)C)CC3=CC=C(C=C3)Cl)CCC(=O)O

InChI

InChI=1S/C27H34ClNO2S/c1-6-7-14-32-27-22(12-13-24(30)31)29(16-20-8-10-21(28)11-9-20)23-15-18(4)25(17(2)3)19(5)26(23)27/h8-11,15,17H,6-7,12-14,16H2,1-5H3,(H,30,31)