[2-oxidanylidene-2-(2-phenylsulfanylethylamino)ethyl] 2-cyclopropylquinoline-4-carboxylate

Systemtic Name: [2-oxidanylidene-2-(2-phenylsulfanylethylamino)ethyl] 2-cyclopropylquinoline-4-carboxylate Openeye Name: [2-oxo-2-(2-phenylsulfanylethylamino)ethyl] 2-cyclopropylquinoline-4-carboxylate CAS Name: 2-cyclopropyl-4-quinolinecarboxylic acid [2-oxo-2-[2-(phenylthio)ethylamino]ethyl] ester IUPAC Name: [2-oxo-2-(2-phenylsulfanylethylamino)ethyl] 2-cyclopropylquinoline-4-carboxylate Traditional Name: 2-cyclopropylcinchoninic acid [2-keto-2-[2-(phenylthio)ethylamino]ethyl] ester Formula: C23H22N2O3S MolecularWeight: 406.49738

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=NC3=CC=CC=C3C(=C2)C(=O)OCC(=O)NCCSC4=CC=CC=C4

Isomeric SMILES

C1CC1C2=NC3=CC=CC=C3C(=C2)C(=O)OCC(=O)NCCSC4=CC=CC=C4

InChI

InChI=1S/C23H22N2O3S/c26-22(24-12-13-29-17-6-2-1-3-7-17)15-28-23(27)19-14-21(16-10-11-16)25-20-9-5-4-8-18(19)20/h1-9,14,16H,10-13,15H2,(H,24,26)