3,3-dimethyl-1-[2-methyl-3-(phenylcarbonylsulfanyl)propanoyl]-2H-indole-2-carboxylic acid

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(CSC(=O)C1=CC=CC=C1)C(=O)N2C(C(C3=CC=CC=C32)(C)C)C(=O)O

Isomeric SMILES

CC(CSC(=O)C1=CC=CC=C1)C(=O)N2C(C(C3=CC=CC=C32)(C)C)C(=O)O

InChI

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