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

Systemtic Name: 6-chloranyl-1-(3-sulfanylpropanoyl)-3,4-dihydro-2H-quinoline-2-carboxylic acid Openeye Name: 6-chloro-1-(3-sulfanylpropanoyl)-3,4-dihydro-2H-quinoline-2-carboxylic acid CAS Name: 6-chloro-1-(3-mercapto-1-oxopropyl)-3,4-dihydro-2H-quinoline-2-carboxylic acid IUPAC Name: 6-chloro-1-(3-sulfanylpropanoyl)-3,4-dihydro-2H-quinoline-2-carboxylic acid Traditional Name: 6-chloro-1-(3-mercaptopropanoyl)-3,4-dihydro-2H-quinoline-2-carboxylic acid Formula: C13H14ClNO3S MolecularWeight: 299.77316

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C=CC(=C2)Cl)N(C1C(=O)O)C(=O)CCS

Isomeric SMILES

C1CC2=C(C=CC(=C2)Cl)N(C1C(=O)O)C(=O)CCS

InChI

InChI=1S/C13H14ClNO3S/c14-9-2-4-10-8(7-9)1-3-11(13(17)18)15(10)12(16)5-6-19/h2,4,7,11,19H,1,3,5-6H2,(H,17,18)