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

Systemtic Name: [2-oxidanylidene-2-(2-phenylsulfanylethylamino)ethyl] 2-methylquinoline-4-carboxylate Openeye Name: [2-oxo-2-(2-phenylsulfanylethylamino)ethyl] 2-methylquinoline-4-carboxylate CAS Name: 2-methyl-4-quinolinecarboxylic acid [2-oxo-2-[2-(phenylthio)ethylamino]ethyl] ester IUPAC Name: [2-oxo-2-(2-phenylsulfanylethylamino)ethyl] 2-methylquinoline-4-carboxylate Traditional Name: 2-methylcinchoninic acid [2-keto-2-[2-(phenylthio)ethylamino]ethyl] ester Formula: C21H20N2O3S MolecularWeight: 380.4601

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC=CC=C2C(=C1)C(=O)OCC(=O)NCCSC3=CC=CC=C3

Isomeric SMILES

CC1=NC2=CC=CC=C2C(=C1)C(=O)OCC(=O)NCCSC3=CC=CC=C3

InChI

InChI=1S/C21H20N2O3S/c1-15-13-18(17-9-5-6-10-19(17)23-15)21(25)26-14-20(24)22-11-12-27-16-7-3-2-4-8-16/h2-10,13H,11-12,14H2,1H3,(H,22,24)