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

Systemtic Name: 2-[2-methyl-1-[4-[2-(phenylmethylsulfanyl)ethoxy]phenyl]carbonyl-indol-4-yl]ethanoic acid Openeye Name: 2-[1-[4-(2-benzylsulfanylethoxy)benzoyl]-2-methyl-indol-4-yl]acetic acid CAS Name: 2-[2-methyl-1-[oxo-[4-[2-(phenylmethylthio)ethoxy]phenyl]methyl]-4-indolyl]acetic acid IUPAC Name: 2-[1-[4-(2-benzylsulfanylethoxy)benzoyl]-2-methylindol-4-yl]acetic acid Traditional Name: 2-[1-[4-[2-(benzylthio)ethoxy]benzoyl]-2-methyl-indol-4-yl]acetic acid Formula: C27H25NO4S MolecularWeight: 459.5567

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=CC=C2N1C(=O)C3=CC=C(C=C3)OCCSCC4=CC=CC=C4)CC(=O)O

Isomeric SMILES

CC1=CC2=C(C=CC=C2N1C(=O)C3=CC=C(C=C3)OCCSCC4=CC=CC=C4)CC(=O)O

InChI

InChI=1S/C27H25NO4S/c1-19-16-24-22(17-26(29)30)8-5-9-25(24)28(19)27(31)21-10-12-23(13-11-21)32-14-15-33-18-20-6-3-2-4-7-20/h2-13,16H,14-15,17-18H2,1H3,(H,29,30)