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

Systemtic Name: 6-chloranyl-1-(3-ethanoylsulfanylpropanoyl)-3,4-dihydro-2H-quinoline-2-carboxylic acid Openeye Name: 1-(3-acetylsulfanylpropanoyl)-6-chloro-3,4-dihydro-2H-quinoline-2-carboxylic acid CAS Name: 1-[3-(acetylthio)-1-oxopropyl]-6-chloro-3,4-dihydro-2H-quinoline-2-carboxylic acid IUPAC Name: 1-(3-acetylsulfanylpropanoyl)-6-chloro-3,4-dihydro-2H-quinoline-2-carboxylic acid Traditional Name: 1-[3-(acetylthio)propanoyl]-6-chloro-3,4-dihydro-2H-quinoline-2-carboxylic acid Formula: C15H16ClNO4S MolecularWeight: 341.80984

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H16ClNO4S/c1-9(18)22-7-6-14(19)17-12-5-3-11(16)8-10(12)2-4-13(17)15(20)21/h3,5,8,13H,2,4,6-7H2,1H3,(H,20,21)