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

Systemtic Name: 3-[1-[(4-chlorophenyl)methyl]-4,6-dimethyl-3-methylsulfanyl-5-propan-2-yl-indol-2-yl]propanoic acid Openeye Name: 3-[1-[(4-chlorophenyl)methyl]-5-isopropyl-4,6-dimethyl-3-methylsulfanyl-indol-2-yl]propanoic acid CAS Name: 3-[1-[(4-chlorophenyl)methyl]-4,6-dimethyl-3-(methylthio)-5-propan-2-yl-2-indolyl]propanoic acid IUPAC Name: 3-[1-[(4-chlorophenyl)methyl]-4,6-dimethyl-3-methylsulfanyl-5-propan-2-ylindol-2-yl]propanoic acid Traditional Name: 3-[1-(4-chlorobenzyl)-5-isopropyl-4,6-dimethyl-3-(methylthio)indol-2-yl]propionic acid Formula: C24H28ClNO2S MolecularWeight: 430.00262

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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)O)SC

Isomeric SMILES

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

InChI

InChI=1S/C24H28ClNO2S/c1-14(2)22-15(3)12-20-23(16(22)4)24(29-5)19(10-11-21(27)28)26(20)13-17-6-8-18(25)9-7-17/h6-9,12,14H,10-11,13H2,1-5H3,(H,27,28)