[2-oxidanylidene-2-(3-phenylsulfanylpropylamino)ethyl] 2-cyclopropylquinoline-4-carboxylate

Systemtic Name: [2-oxidanylidene-2-(3-phenylsulfanylpropylamino)ethyl] 2-cyclopropylquinoline-4-carboxylate Openeye Name: [2-oxo-2-(3-phenylsulfanylpropylamino)ethyl] 2-cyclopropylquinoline-4-carboxylate CAS Name: 2-cyclopropyl-4-quinolinecarboxylic acid [2-oxo-2-[3-(phenylthio)propylamino]ethyl] ester IUPAC Name: [2-oxo-2-(3-phenylsulfanylpropylamino)ethyl] 2-cyclopropylquinoline-4-carboxylate Traditional Name: 2-cyclopropylcinchoninic acid [2-keto-2-[3-(phenylthio)propylamino]ethyl] ester Formula: C24H24N2O3S MolecularWeight: 420.52396

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=NC3=CC=CC=C3C(=C2)C(=O)OCC(=O)NCCCSC4=CC=CC=C4

Isomeric SMILES

C1CC1C2=NC3=CC=CC=C3C(=C2)C(=O)OCC(=O)NCCCSC4=CC=CC=C4

InChI

InChI=1S/C24H24N2O3S/c27-23(25-13-6-14-30-18-7-2-1-3-8-18)16-29-24(28)20-15-22(17-11-12-17)26-21-10-5-4-9-19(20)21/h1-5,7-10,15,17H,6,11-14,16H2,(H,25,27)