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

Systemtic Name: 1-(3-ethanoylsulfanylpropanoyl)-6-methyl-3,4-dihydro-2H-quinoline-2-carboxylic acid Openeye Name: 1-(3-acetylsulfanylpropanoyl)-6-methyl-3,4-dihydro-2H-quinoline-2-carboxylic acid CAS Name: 1-[3-(acetylthio)-1-oxopropyl]-6-methyl-3,4-dihydro-2H-quinoline-2-carboxylic acid IUPAC Name: 1-(3-acetylsulfanylpropanoyl)-6-methyl-3,4-dihydro-2H-quinoline-2-carboxylic acid Traditional Name: 1-[3-(acetylthio)propanoyl]-6-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(C=C1)N(C(CC2)C(=O)O)C(=O)CCSC(=O)C

Isomeric SMILES

CC1=CC2=C(C=C1)N(C(CC2)C(=O)O)C(=O)CCSC(=O)C

InChI

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