2-[2-methyl-1-[4-(4-methylsulfanylbutoxy)phenyl]carbonyl-indol-4-yl]ethanoic acid

Systemtic Name: 2-[2-methyl-1-[4-(4-methylsulfanylbutoxy)phenyl]carbonyl-indol-4-yl]ethanoic acid Openeye Name: 2-[2-methyl-1-[4-(4-methylsulfanylbutoxy)benzoyl]indol-4-yl]acetic acid CAS Name: 2-[2-methyl-1-[[4-[4-(methylthio)butoxy]phenyl]-oxomethyl]-4-indolyl]acetic acid IUPAC Name: 2-[2-methyl-1-[4-(4-methylsulfanylbutoxy)benzoyl]indol-4-yl]acetic acid Traditional Name: 2-[2-methyl-1-[4-[4-(methylthio)butoxy]benzoyl]indol-4-yl]acetic acid Formula: C23H25NO4S MolecularWeight: 411.5139

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=CC=C2N1C(=O)C3=CC=C(C=C3)OCCCCSC)CC(=O)O

Isomeric SMILES

CC1=CC2=C(C=CC=C2N1C(=O)C3=CC=C(C=C3)OCCCCSC)CC(=O)O

InChI

InChI=1S/C23H25NO4S/c1-16-14-20-18(15-22(25)26)6-5-7-21(20)24(16)23(27)17-8-10-19(11-9-17)28-12-3-4-13-29-2/h5-11,14H,3-4,12-13,15H2,1-2H3,(H,25,26)