5,6-dimethoxy-1-(3-sulfanylpropanoyl)-2,3-dihydroindole-2-carboxylic acid

Systemtic Name: 5,6-dimethoxy-1-(3-sulfanylpropanoyl)-2,3-dihydroindole-2-carboxylic acid Openeye Name: 5,6-dimethoxy-1-(3-sulfanylpropanoyl)indoline-2-carboxylic acid CAS Name: 1-(3-mercapto-1-oxopropyl)-5,6-dimethoxy-2,3-dihydroindole-2-carboxylic acid IUPAC Name: 5,6-dimethoxy-1-(3-sulfanylpropanoyl)-2,3-dihydroindole-2-carboxylic acid Traditional Name: 1-(3-mercaptopropanoyl)-5,6-dimethoxy-indoline-2-carboxylic acid Formula: C14H17NO5S MolecularWeight: 311.35348

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)CC(N2C(=O)CCS)C(=O)O)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)CC(N2C(=O)CCS)C(=O)O)OC

InChI

InChI=1S/C14H17NO5S/c1-19-11-6-8-5-10(14(17)18)15(13(16)3-4-21)9(8)7-12(11)20-2/h6-7,10,21H,3-5H2,1-2H3,(H,17,18)