[2-oxidanylidene-2-[(2-prop-2-enylsulfanylphenyl)amino]ethyl] 2-oxidanylidene-3,4-dihydro-1H-quinoline-6-carboxylate

Systemtic Name: [2-oxidanylidene-2-[(2-prop-2-enylsulfanylphenyl)amino]ethyl] 2-oxidanylidene-3,4-dihydro-1H-quinoline-6-carboxylate Openeye Name: [2-(2-allylsulfanylanilino)-2-oxo-ethyl] 2-oxo-3,4-dihydro-1H-quinoline-6-carboxylate CAS Name: 2-oxo-3,4-dihydro-1H-quinoline-6-carboxylic acid [2-oxo-2-[2-(prop-2-enylthio)anilino]ethyl] ester IUPAC Name: [2-oxo-2-(2-prop-2-enylsulfanylanilino)ethyl] 2-oxo-3,4-dihydro-1H-quinoline-6-carboxylate Traditional Name: 2-keto-3,4-dihydro-1H-quinoline-6-carboxylic acid [2-[2-(allylthio)anilino]-2-keto-ethyl] ester Formula: C21H20N2O4S MolecularWeight: 396.4595

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Descriptors Computed from Structure

Canonical SMILES:

C=CCSC1=CC=CC=C1NC(=O)COC(=O)C2=CC3=C(C=C2)NC(=O)CC3

Isomeric SMILES

C=CCSC1=CC=CC=C1NC(=O)COC(=O)C2=CC3=C(C=C2)NC(=O)CC3

InChI

InChI=1S/C21H20N2O4S/c1-2-11-28-18-6-4-3-5-17(18)23-20(25)13-27-21(26)15-7-9-16-14(12-15)8-10-19(24)22-16/h2-7,9,12H,1,8,10-11,13H2,(H,22,24)(H,23,25)