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

Systemtic Name: 1-(2-sulfanylpropanoyl)-3,4-dihydro-2H-quinoline-2-carboxylic acid Openeye Name: 1-(2-sulfanylpropanoyl)-3,4-dihydro-2H-quinoline-2-carboxylic acid CAS Name: 1-(2-mercapto-1-oxopropyl)-3,4-dihydro-2H-quinoline-2-carboxylic acid IUPAC Name: 1-(2-sulfanylpropanoyl)-3,4-dihydro-2H-quinoline-2-carboxylic acid Traditional Name: 1-(2-mercaptopropanoyl)-3,4-dihydro-2H-quinoline-2-carboxylic acid Formula: C13H15NO3S MolecularWeight: 265.3281

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H15NO3S/c1-8(18)12(15)14-10-5-3-2-4-9(10)6-7-11(14)13(16)17/h2-5,8,11,18H,6-7H2,1H3,(H,16,17)