5-ethyl-1-[2-methyl-3-(phenylcarbonylsulfanyl)propanoyl]-2,3-dihydroindole-2-carboxylic acid

Systemtic Name: 5-ethyl-1-[2-methyl-3-(phenylcarbonylsulfanyl)propanoyl]-2,3-dihydroindole-2-carboxylic acid Openeye Name: 1-(3-benzoylsulfanyl-2-methyl-propanoyl)-5-ethyl-indoline-2-carboxylic acid CAS Name: 1-[3-(benzoylthio)-2-methyl-1-oxopropyl]-5-ethyl-2,3-dihydroindole-2-carboxylic acid IUPAC Name: 1-(3-benzoylsulfanyl-2-methylpropanoyl)-5-ethyl-2,3-dihydroindole-2-carboxylic acid Traditional Name: 1-[3-(benzoylthio)-2-methyl-propanoyl]-5-ethyl-indoline-2-carboxylic acid Formula: C22H23NO4S MolecularWeight: 397.48732

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)N(C(C2)C(=O)O)C(=O)C(C)CSC(=O)C3=CC=CC=C3

Isomeric SMILES

CCC1=CC2=C(C=C1)N(C(C2)C(=O)O)C(=O)C(C)CSC(=O)C3=CC=CC=C3

InChI

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