1-(3-ethanoylsulfanyl-2,2-dimethyl-propanoyl)-2,3-dihydroindole-2-carboxylic acid

Systemtic Name: 1-(3-ethanoylsulfanyl-2,2-dimethyl-propanoyl)-2,3-dihydroindole-2-carboxylic acid Openeye Name: 1-(3-acetylsulfanyl-2,2-dimethyl-propanoyl)indoline-2-carboxylic acid CAS Name: 1-[3-(acetylthio)-2,2-dimethyl-1-oxopropyl]-2,3-dihydroindole-2-carboxylic acid IUPAC Name: 1-(3-acetylsulfanyl-2,2-dimethylpropanoyl)-2,3-dihydroindole-2-carboxylic acid Traditional Name: 1-[3-(acetylthio)-2,2-dimethyl-propanoyl]indoline-2-carboxylic acid Formula: C16H19NO4S MolecularWeight: 321.39136

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SCC(C)(C)C(=O)N1C(CC2=CC=CC=C21)C(=O)O

Isomeric SMILES

CC(=O)SCC(C)(C)C(=O)N1C(CC2=CC=CC=C21)C(=O)O

InChI

InChI=1S/C16H19NO4S/c1-10(18)22-9-16(2,3)15(21)17-12-7-5-4-6-11(12)8-13(17)14(19)20/h4-7,13H,8-9H2,1-3H3,(H,19,20)