sodium 1-[3-(phenylcarbonylsulfanyl)propanoyl]-3,4-dihydro-2H-quinoline-2-carboxylate

Systemtic Name: sodium 1-[3-(phenylcarbonylsulfanyl)propanoyl]-3,4-dihydro-2H-quinoline-2-carboxylate Openeye Name: sodium 1-(3-benzoylsulfanylpropanoyl)-3,4-dihydro-2H-quinoline-2-carboxylate CAS Name: sodium 1-[3-(benzoylthio)-1-oxopropyl]-3,4-dihydro-2H-quinoline-2-carboxylate IUPAC Name: sodium 1-(3-benzoylsulfanylpropanoyl)-3,4-dihydro-2H-quinoline-2-carboxylate Traditional Name: sodium 1-[3-(benzoylthio)propanoyl]-3,4-dihydro-2H-quinoline-2-carboxylate Formula: C20H18NNaO4S MolecularWeight: 391.41599

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=CC=CC=C2N(C1C(=O)[O-])C(=O)CCSC(=O)C3=CC=CC=C3.[Na+]

Isomeric SMILES

C1CC2=CC=CC=C2N(C1C(=O)[O-])C(=O)CCSC(=O)C3=CC=CC=C3.[Na+]

InChI

InChI=1S/C20H19NO4S.Na/c22-18(12-13-26-20(25)15-7-2-1-3-8-15)21-16-9-5-4-6-14(16)10-11-17(21)19(23)24;/h1-9,17H,10-13H2,(H,23,24);/q;+1/p-1