3-ethanoylsulfanyl-2-methyl-1-propanoyl-3,4-dihydroquinoline-2-carboxylic acid

Systemtic Name: 3-ethanoylsulfanyl-2-methyl-1-propanoyl-3,4-dihydroquinoline-2-carboxylic acid Openeye Name: 3-acetylsulfanyl-2-methyl-1-propanoyl-3,4-dihydroquinoline-2-carboxylic acid CAS Name: 3-(acetylthio)-2-methyl-1-(1-oxopropyl)-3,4-dihydroquinoline-2-carboxylic acid IUPAC Name: 3-acetylsulfanyl-2-methyl-1-propanoyl-3,4-dihydroquinoline-2-carboxylic acid Traditional Name: 3-(acetylthio)-2-methyl-1-propionyl-3,4-dihydroquinoline-2-carboxylic acid Formula: C16H19NO4S MolecularWeight: 321.39136

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)N1C2=CC=CC=C2CC(C1(C)C(=O)O)SC(=O)C

Isomeric SMILES

CCC(=O)N1C2=CC=CC=C2CC(C1(C)C(=O)O)SC(=O)C

InChI

InChI=1S/C16H19NO4S/c1-4-14(19)17-12-8-6-5-7-11(12)9-13(22-10(2)18)16(17,3)15(20)21/h5-8,13H,4,9H2,1-3H3,(H,20,21)