3-[[2-methylsulfanyl-2-(5-phenylmethoxy-2,3-dihydroindol-1-yl)ethanoyl]amino]benzoic acid

Systemtic Name: 3-[[2-methylsulfanyl-2-(5-phenylmethoxy-2,3-dihydroindol-1-yl)ethanoyl]amino]benzoic acid Openeye Name: 3-[[2-(5-benzyloxyindolin-1-yl)-2-methylsulfanyl-acetyl]amino]benzoic acid CAS Name: 3-[[2-(methylthio)-1-oxo-2-(5-phenylmethoxy-2,3-dihydroindol-1-yl)ethyl]amino]benzoic acid IUPAC Name: 3-[[2-methylsulfanyl-2-(5-phenylmethoxy-2,3-dihydroindol-1-yl)acetyl]amino]benzoic acid Traditional Name: 3-[[2-(5-benzoxyindolin-1-yl)-2-(methylthio)acetyl]amino]benzoic acid Formula: C25H24N2O4S MolecularWeight: 448.53406

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Descriptors Computed from Structure

Canonical SMILES:

CSC(C(=O)NC1=CC=CC(=C1)C(=O)O)N2CCC3=C2C=CC(=C3)OCC4=CC=CC=C4

Isomeric SMILES

CSC(C(=O)NC1=CC=CC(=C1)C(=O)O)N2CCC3=C2C=CC(=C3)OCC4=CC=CC=C4

InChI

InChI=1S/C25H24N2O4S/c1-32-24(23(28)26-20-9-5-8-19(14-20)25(29)30)27-13-12-18-15-21(10-11-22(18)27)31-16-17-6-3-2-4-7-17/h2-11,14-15,24H,12-13,16H2,1H3,(H,26,28)(H,29,30)