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

Systemtic Name: 5-methoxy-1-[2-methyl-3-(phenylcarbonylsulfanyl)propanoyl]-2,3-dihydroindole-2-carboxylic acid Openeye Name: 1-(3-benzoylsulfanyl-2-methyl-propanoyl)-5-methoxy-indoline-2-carboxylic acid CAS Name: 1-[3-(benzoylthio)-2-methyl-1-oxopropyl]-5-methoxy-2,3-dihydroindole-2-carboxylic acid IUPAC Name: 1-(3-benzoylsulfanyl-2-methylpropanoyl)-5-methoxy-2,3-dihydroindole-2-carboxylic acid Traditional Name: 1-[3-(benzoylthio)-2-methyl-propanoyl]-5-methoxy-indoline-2-carboxylic acid Formula: C21H21NO5S MolecularWeight: 399.46014

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21NO5S/c1-13(12-28-21(26)14-6-4-3-5-7-14)19(23)22-17-9-8-16(27-2)10-15(17)11-18(22)20(24)25/h3-10,13,18H,11-12H2,1-2H3,(H,24,25)