[4-(1,3-dithiolan-2-yl)-2-methoxy-phenyl] 3-(4-oxidanylidenequinazolin-3-yl)propanoate

Systemtic Name: [4-(1,3-dithiolan-2-yl)-2-methoxy-phenyl] 3-(4-oxidanylidenequinazolin-3-yl)propanoate Openeye Name: [4-(1,3-dithiolan-2-yl)-2-methoxy-phenyl] 3-(4-oxoquinazolin-3-yl)propanoate CAS Name: 3-(4-oxo-3-quinazolinyl)propanoic acid [4-(1,3-dithiolan-2-yl)-2-methoxyphenyl] ester IUPAC Name: [4-(1,3-dithiolan-2-yl)-2-methoxyphenyl] 3-(4-oxoquinazolin-3-yl)propanoate Traditional Name: 3-(4-ketoquinazolin-3-yl)propionic acid [4-(1,3-dithiolan-2-yl)-2-methoxy-phenyl] ester Formula: C21H20N2O4S2 MolecularWeight: 428.5245

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C2SCCS2)OC(=O)CCN3C=NC4=CC=CC=C4C3=O

Isomeric SMILES

COC1=C(C=CC(=C1)C2SCCS2)OC(=O)CCN3C=NC4=CC=CC=C4C3=O

InChI

InChI=1S/C21H20N2O4S2/c1-26-18-12-14(21-28-10-11-29-21)6-7-17(18)27-19(24)8-9-23-13-22-16-5-3-2-4-15(16)20(23)25/h2-7,12-13,21H,8-11H2,1H3