[2-[(2-methylsulfanylphenyl)amino]-2-oxidanylidene-ethyl] 3-(4-oxidanylidene-1H-quinazolin-2-yl)propanoate

Systemtic Name: [2-[(2-methylsulfanylphenyl)amino]-2-oxidanylidene-ethyl] 3-(4-oxidanylidene-1H-quinazolin-2-yl)propanoate Openeye Name: [2-(2-methylsulfanylanilino)-2-oxo-ethyl] 3-(4-oxo-1H-quinazolin-2-yl)propanoate CAS Name: 3-(4-oxo-1H-quinazolin-2-yl)propanoic acid [2-[2-(methylthio)anilino]-2-oxoethyl] ester IUPAC Name: [2-(2-methylsulfanylanilino)-2-oxoethyl] 3-(4-oxo-1H-quinazolin-2-yl)propanoate Traditional Name: 3-(4-keto-1H-quinazolin-2-yl)propionic acid [2-keto-2-[2-(methylthio)anilino]ethyl] ester Formula: C20H19N3O4S MolecularWeight: 397.44756

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC=C1NC(=O)COC(=O)CCC2=NC(=O)C3=CC=CC=C3N2

Isomeric SMILES

CSC1=CC=CC=C1NC(=O)COC(=O)CCC2=NC(=O)C3=CC=CC=C3N2

InChI

InChI=1S/C20H19N3O4S/c1-28-16-9-5-4-8-15(16)22-18(24)12-27-19(25)11-10-17-21-14-7-3-2-6-13(14)20(26)23-17/h2-9H,10-12H2,1H3,(H,22,24)(H,21,23,26)