(2S)-1-[(2R)-2-methyl-3-(phenylcarbonylsulfanyl)propanoyl]-2,3-dihydroindole-2-carboxylic acid

Systemtic Name: (2S)-1-[(2R)-2-methyl-3-(phenylcarbonylsulfanyl)propanoyl]-2,3-dihydroindole-2-carboxylic acid Openeye Name: (2S)-1-[(2R)-3-benzoylsulfanyl-2-methyl-propanoyl]indoline-2-carboxylic acid CAS Name: (2S)-1-[(2R)-3-(benzoylthio)-2-methyl-1-oxopropyl]-2,3-dihydroindole-2-carboxylic acid IUPAC Name: (2S)-1-[(2R)-3-benzoylsulfanyl-2-methylpropanoyl]-2,3-dihydroindole-2-carboxylic acid Traditional Name: (2S)-1-[(2R)-3-(benzoylthio)-2-methyl-propanoyl]indoline-2-carboxylic acid Formula: C20H19NO4S MolecularWeight: 369.43416

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Descriptors Computed from Structure

Canonical SMILES:

CC(CSC(=O)C1=CC=CC=C1)C(=O)N2C(CC3=CC=CC=C32)C(=O)O

Isomeric SMILES

C[C@@H](CSC(=O)C1=CC=CC=C1)C(=O)N2[C@@H](CC3=CC=CC=C32)C(=O)O

InChI

InChI=1S/C20H19NO4S/c1-13(12-26-20(25)14-7-3-2-4-8-14)18(22)21-16-10-6-5-9-15(16)11-17(21)19(23)24/h2-10,13,17H,11-12H2,1H3,(H,23,24)/t13-,17-/m0/s1