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

Systemtic Name: 2-[1-[4-(2-ethylsulfanylethoxy)phenyl]carbonyl-2-methyl-indol-4-yl]ethanoic acid Openeye Name: 2-[1-[4-(2-ethylsulfanylethoxy)benzoyl]-2-methyl-indol-4-yl]acetic acid CAS Name: 2-[1-[[4-[2-(ethylthio)ethoxy]phenyl]-oxomethyl]-2-methyl-4-indolyl]acetic acid IUPAC Name: 2-[1-[4-(2-ethylsulfanylethoxy)benzoyl]-2-methylindol-4-yl]acetic acid Traditional Name: 2-[1-[4-[2-(ethylthio)ethoxy]benzoyl]-2-methyl-indol-4-yl]acetic acid Formula: C22H23NO4S MolecularWeight: 397.48732

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Descriptors Computed from Structure

Canonical SMILES:

CCSCCOC1=CC=C(C=C1)C(=O)N2C(=CC3=C(C=CC=C32)CC(=O)O)C

Isomeric SMILES

CCSCCOC1=CC=C(C=C1)C(=O)N2C(=CC3=C(C=CC=C32)CC(=O)O)C

InChI

InChI=1S/C22H23NO4S/c1-3-28-12-11-27-18-9-7-16(8-10-18)22(26)23-15(2)13-19-17(14-21(24)25)5-4-6-20(19)23/h4-10,13H,3,11-12,14H2,1-2H3,(H,24,25)