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

Systemtic Name: (2S)-1-(3-ethanoylsulfanylpropanoyl)-3,4-dihydro-2H-quinoline-2-carboxylic acid Openeye Name: (2S)-1-(3-acetylsulfanylpropanoyl)-3,4-dihydro-2H-quinoline-2-carboxylic acid CAS Name: (2S)-1-[3-(acetylthio)-1-oxopropyl]-3,4-dihydro-2H-quinoline-2-carboxylic acid IUPAC Name: (2S)-1-(3-acetylsulfanylpropanoyl)-3,4-dihydro-2H-quinoline-2-carboxylic acid Traditional Name: (2S)-1-[3-(acetylthio)propanoyl]-3,4-dihydro-2H-quinoline-2-carboxylic acid Formula: C15H17NO4S MolecularWeight: 307.36478

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SCCC(=O)N1C(CCC2=CC=CC=C21)C(=O)O

Isomeric SMILES

CC(=O)SCCC(=O)N1[C@@H](CCC2=CC=CC=C21)C(=O)O

InChI

InChI=1S/C15H17NO4S/c1-10(17)21-9-8-14(18)16-12-5-3-2-4-11(12)6-7-13(16)15(19)20/h2-5,13H,6-9H2,1H3,(H,19,20)/t13-/m0/s1