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

Systemtic Name: 5-chloranyl-1-[2-methyl-3-(phenylcarbonylsulfanyl)propanoyl]-2,3-dihydroindole-2-carboxylic acid Openeye Name: 1-(3-benzoylsulfanyl-2-methyl-propanoyl)-5-chloro-indoline-2-carboxylic acid CAS Name: 1-[3-(benzoylthio)-2-methyl-1-oxopropyl]-5-chloro-2,3-dihydroindole-2-carboxylic acid IUPAC Name: 1-(3-benzoylsulfanyl-2-methylpropanoyl)-5-chloro-2,3-dihydroindole-2-carboxylic acid Traditional Name: 1-[3-(benzoylthio)-2-methyl-propanoyl]-5-chloro-indoline-2-carboxylic acid Formula: C20H18ClNO4S MolecularWeight: 403.87922

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Descriptors Computed from Structure

Canonical SMILES:

CC(CSC(=O)C1=CC=CC=C1)C(=O)N2C(CC3=C2C=CC(=C3)Cl)C(=O)O

Isomeric SMILES

CC(CSC(=O)C1=CC=CC=C1)C(=O)N2C(CC3=C2C=CC(=C3)Cl)C(=O)O

InChI

InChI=1S/C20H18ClNO4S/c1-12(11-27-20(26)13-5-3-2-4-6-13)18(23)22-16-8-7-15(21)9-14(16)10-17(22)19(24)25/h2-9,12,17H,10-11H2,1H3,(H,24,25)