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

Systemtic Name: [2-oxidanylidene-2-[(2-phenylsulfanylphenyl)amino]ethyl] 3-(4-oxidanylidene-1H-quinazolin-2-yl)propanoate Openeye Name: [2-oxo-2-(2-phenylsulfanylanilino)ethyl] 3-(4-oxo-1H-quinazolin-2-yl)propanoate CAS Name: 3-(4-oxo-1H-quinazolin-2-yl)propanoic acid [2-oxo-2-[2-(phenylthio)anilino]ethyl] ester IUPAC Name: [2-oxo-2-(2-phenylsulfanylanilino)ethyl] 3-(4-oxo-1H-quinazolin-2-yl)propanoate Traditional Name: 3-(4-keto-1H-quinazolin-2-yl)propionic acid [2-keto-2-[2-(phenylthio)anilino]ethyl] ester Formula: C25H21N3O4S MolecularWeight: 459.51694

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SC2=CC=CC=C2NC(=O)COC(=O)CCC3=NC(=O)C4=CC=CC=C4N3

Isomeric SMILES

C1=CC=C(C=C1)SC2=CC=CC=C2NC(=O)COC(=O)CCC3=NC(=O)C4=CC=CC=C4N3

InChI

InChI=1S/C25H21N3O4S/c29-23(27-20-12-6-7-13-21(20)33-17-8-2-1-3-9-17)16-32-24(30)15-14-22-26-19-11-5-4-10-18(19)25(31)28-22/h1-13H,14-16H2,(H,27,29)(H,26,28,31)