N-[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]-2-(6-chloranyl-4-oxidanylidene-quinazolin-3-yl)-N-ethyl-ethanamide

Systemtic Name: N-[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]-2-(6-chloranyl-4-oxidanylidene-quinazolin-3-yl)-N-ethyl-ethanamide Openeye Name: 2-(6-chloro-4-oxo-quinazolin-3-yl)-N-[(3S)-1,1-dioxothiolan-3-yl]-N-ethyl-acetamide CAS Name: 2-(6-chloro-4-oxo-3-quinazolinyl)-N-[(3S)-1,1-dioxo-3-thiolanyl]-N-ethylacetamide IUPAC Name: 2-(6-chloro-4-oxoquinazolin-3-yl)-N-[(3S)-1,1-dioxothiolan-3-yl]-N-ethylacetamide Traditional Name: 2-(6-chloro-4-keto-quinazolin-3-yl)-N-[(3S)-1,1-diketothiolan-3-yl]-N-ethyl-acetamide Formula: C16H18ClN3O4S MolecularWeight: 383.84982

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C1CCS(=O)(=O)C1)C(=O)CN2C=NC3=C(C2=O)C=C(C=C3)Cl

Isomeric SMILES

CCN([C@H]1CCS(=O)(=O)C1)C(=O)CN2C=NC3=C(C2=O)C=C(C=C3)Cl

InChI

InChI=1S/C16H18ClN3O4S/c1-2-20(12-5-6-25(23,24)9-12)15(21)8-19-10-18-14-4-3-11(17)7-13(14)16(19)22/h3-4,7,10,12H,2,5-6,8-9H2,1H3/t12-/m0/s1