(2S)-1-[(2S)-3-ethanoylsulfanyl-2-methyl-propanoyl]-3,4-dihydro-2H-quinoline-2-carboxylic acid

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H19NO4S/c1-10(9-22-11(2)18)15(19)17-13-6-4-3-5-12(13)7-8-14(17)16(20)21/h3-6,10,14H,7-9H2,1-2H3,(H,20,21)/t10-,14+/m1/s1