1-(3-ethanoylsulfanylpropanoyl)-6,7-dimethoxy-3,4-dihydro-2H-quinoline-2-carboxylic acid

Systemtic Name: 1-(3-ethanoylsulfanylpropanoyl)-6,7-dimethoxy-3,4-dihydro-2H-quinoline-2-carboxylic acid Openeye Name: 1-(3-acetylsulfanylpropanoyl)-6,7-dimethoxy-3,4-dihydro-2H-quinoline-2-carboxylic acid CAS Name: 1-[3-(acetylthio)-1-oxopropyl]-6,7-dimethoxy-3,4-dihydro-2H-quinoline-2-carboxylic acid IUPAC Name: 1-(3-acetylsulfanylpropanoyl)-6,7-dimethoxy-3,4-dihydro-2H-quinoline-2-carboxylic acid Traditional Name: 1-[3-(acetylthio)propanoyl]-6,7-dimethoxy-3,4-dihydro-2H-quinoline-2-carboxylic acid Formula: C17H21NO6S MolecularWeight: 367.41674

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SCCC(=O)N1C(CCC2=CC(=C(C=C21)OC)OC)C(=O)O

Isomeric SMILES

CC(=O)SCCC(=O)N1C(CCC2=CC(=C(C=C21)OC)OC)C(=O)O

InChI

InChI=1S/C17H21NO6S/c1-10(19)25-7-6-16(20)18-12(17(21)22)5-4-11-8-14(23-2)15(24-3)9-13(11)18/h8-9,12H,4-7H2,1-3H3,(H,21,22)