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

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

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC(=C1)NC(=O)COC(=O)CCC2=NC(=O)C3=CC=CC=C3N2

Isomeric SMILES

CSC1=CC=CC(=C1)NC(=O)COC(=O)CCC2=NC(=O)C3=CC=CC=C3N2

InChI

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