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

Systemtic Name: 5-methoxy-1-[3-(phenylcarbonylsulfanyl)propanoyl]-2,3-dihydroindole-2-carboxylic acid Openeye Name: 1-(3-benzoylsulfanylpropanoyl)-5-methoxy-indoline-2-carboxylic acid CAS Name: 1-[3-(benzoylthio)-1-oxopropyl]-5-methoxy-2,3-dihydroindole-2-carboxylic acid IUPAC Name: 1-(3-benzoylsulfanylpropanoyl)-5-methoxy-2,3-dihydroindole-2-carboxylic acid Traditional Name: 1-[3-(benzoylthio)propanoyl]-5-methoxy-indoline-2-carboxylic acid Formula: C20H19NO5S MolecularWeight: 385.43356

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)N(C(C2)C(=O)O)C(=O)CCSC(=O)C3=CC=CC=C3

Isomeric SMILES

COC1=CC2=C(C=C1)N(C(C2)C(=O)O)C(=O)CCSC(=O)C3=CC=CC=C3

InChI

InChI=1S/C20H19NO5S/c1-26-15-7-8-16-14(11-15)12-17(19(23)24)21(16)18(22)9-10-27-20(25)13-5-3-2-4-6-13/h2-8,11,17H,9-10,12H2,1H3,(H,23,24)