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

Systemtic Name: 1-(2-methylpropanoyl)-3-sulfanyl-3,4-dihydro-2H-quinoline-2-carboxylic acid Openeye Name: 1-(2-methylpropanoyl)-3-sulfanyl-3,4-dihydro-2H-quinoline-2-carboxylic acid CAS Name: 3-mercapto-1-(2-methyl-1-oxopropyl)-3,4-dihydro-2H-quinoline-2-carboxylic acid IUPAC Name: 1-(2-methylpropanoyl)-3-sulfanyl-3,4-dihydro-2H-quinoline-2-carboxylic acid Traditional Name: 1-isobutyryl-3-mercapto-3,4-dihydro-2H-quinoline-2-carboxylic acid Formula: C14H17NO3S MolecularWeight: 279.35468

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)N1C(C(CC2=CC=CC=C21)S)C(=O)O

Isomeric SMILES

CC(C)C(=O)N1C(C(CC2=CC=CC=C21)S)C(=O)O

InChI

InChI=1S/C14H17NO3S/c1-8(2)13(16)15-10-6-4-3-5-9(10)7-11(19)12(15)14(17)18/h3-6,8,11-12,19H,7H2,1-2H3,(H,17,18)