6-methoxy-1-[3-(phenylcarbonylsulfanyl)propanoyl]-3,4-dihydro-2H-quinoline-2-carboxylic acid

Systemtic Name: 6-methoxy-1-[3-(phenylcarbonylsulfanyl)propanoyl]-3,4-dihydro-2H-quinoline-2-carboxylic acid Openeye Name: 1-(3-benzoylsulfanylpropanoyl)-6-methoxy-3,4-dihydro-2H-quinoline-2-carboxylic acid CAS Name: 1-[3-(benzoylthio)-1-oxopropyl]-6-methoxy-3,4-dihydro-2H-quinoline-2-carboxylic acid IUPAC Name: 1-(3-benzoylsulfanylpropanoyl)-6-methoxy-3,4-dihydro-2H-quinoline-2-carboxylic acid Traditional Name: 1-[3-(benzoylthio)propanoyl]-6-methoxy-3,4-dihydro-2H-quinoline-2-carboxylic acid Formula: C21H21NO5S MolecularWeight: 399.46014

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)N(C(CC2)C(=O)O)C(=O)CCSC(=O)C3=CC=CC=C3

Isomeric SMILES

COC1=CC2=C(C=C1)N(C(CC2)C(=O)O)C(=O)CCSC(=O)C3=CC=CC=C3

InChI

InChI=1S/C21H21NO5S/c1-27-16-8-10-17-15(13-16)7-9-18(20(24)25)22(17)19(23)11-12-28-21(26)14-5-3-2-4-6-14/h2-6,8,10,13,18H,7,9,11-12H2,1H3,(H,24,25)