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

Systemtic Name: 1-(3-ethanoylsulfanylpropanoyl)-7-methyl-3,4-dihydro-2H-quinoline-2-carboxylic acid Openeye Name: 1-(3-acetylsulfanylpropanoyl)-7-methyl-3,4-dihydro-2H-quinoline-2-carboxylic acid CAS Name: 1-[3-(acetylthio)-1-oxopropyl]-7-methyl-3,4-dihydro-2H-quinoline-2-carboxylic acid IUPAC Name: 1-(3-acetylsulfanylpropanoyl)-7-methyl-3,4-dihydro-2H-quinoline-2-carboxylic acid Traditional Name: 1-[3-(acetylthio)propanoyl]-7-methyl-3,4-dihydro-2H-quinoline-2-carboxylic acid Formula: C16H19NO4S MolecularWeight: 321.39136

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(CCC(N2C(=O)CCSC(=O)C)C(=O)O)C=C1

Isomeric SMILES

CC1=CC2=C(CCC(N2C(=O)CCSC(=O)C)C(=O)O)C=C1

InChI

InChI=1S/C16H19NO4S/c1-10-3-4-12-5-6-13(16(20)21)17(14(12)9-10)15(19)7-8-22-11(2)18/h3-4,9,13H,5-8H2,1-2H3,(H,20,21)