2-[[3-[2-(3-methylphenyl)ethoxy]-4-methylsulfanyl-phenyl]carbonylamino]-1,3-dihydroindene-2-carboxylic acid

Systemtic Name: 2-[[3-[2-(3-methylphenyl)ethoxy]-4-methylsulfanyl-phenyl]carbonylamino]-1,3-dihydroindene-2-carboxylic acid Openeye Name: 2-[[4-methylsulfanyl-3-[2-(m-tolyl)ethoxy]benzoyl]amino]indane-2-carboxylic acid CAS Name: 2-[[[3-[2-(3-methylphenyl)ethoxy]-4-(methylthio)phenyl]-oxomethyl]amino]-1,3-dihydroindene-2-carboxylic acid IUPAC Name: 2-[[3-[2-(3-methylphenyl)ethoxy]-4-methylsulfanylbenzoyl]amino]-1,3-dihydroindene-2-carboxylic acid Traditional Name: 2-[[4-(methylthio)-3-[2-(m-tolyl)ethoxy]benzoyl]amino]indane-2-carboxylic acid Formula: C27H27NO4S MolecularWeight: 461.57258

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CCOC2=C(C=CC(=C2)C(=O)NC3(CC4=CC=CC=C4C3)C(=O)O)SC

Isomeric SMILES

CC1=CC(=CC=C1)CCOC2=C(C=CC(=C2)C(=O)NC3(CC4=CC=CC=C4C3)C(=O)O)SC

InChI

InChI=1S/C27H27NO4S/c1-18-6-5-7-19(14-18)12-13-32-23-15-20(10-11-24(23)33-2)25(29)28-27(26(30)31)16-21-8-3-4-9-22(21)17-27/h3-11,14-15H,12-13,16-17H2,1-2H3,(H,28,29)(H,30,31)