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

Systemtic Name: 1-(3-ethanoylsulfanylpropanoyl)-6-oxidanyl-3,4-dihydro-2H-quinoline-2-carboxylic acid Openeye Name: 1-(3-acetylsulfanylpropanoyl)-6-hydroxy-3,4-dihydro-2H-quinoline-2-carboxylic acid CAS Name: 1-[3-(acetylthio)-1-oxopropyl]-6-hydroxy-3,4-dihydro-2H-quinoline-2-carboxylic acid IUPAC Name: 1-(3-acetylsulfanylpropanoyl)-6-hydroxy-3,4-dihydro-2H-quinoline-2-carboxylic acid Traditional Name: 1-[3-(acetylthio)propanoyl]-6-hydroxy-3,4-dihydro-2H-quinoline-2-carboxylic acid Formula: C15H17NO5S MolecularWeight: 323.36418

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SCCC(=O)N1C(CCC2=C1C=CC(=C2)O)C(=O)O

Isomeric SMILES

CC(=O)SCCC(=O)N1C(CCC2=C1C=CC(=C2)O)C(=O)O

InChI

InChI=1S/C15H17NO5S/c1-9(17)22-7-6-14(19)16-12-5-3-11(18)8-10(12)2-4-13(16)15(20)21/h3,5,8,13,18H,2,4,6-7H2,1H3,(H,20,21)