N-[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]-N-ethyl-2-(7-nitro-4-oxidanylidene-quinazolin-3-yl)ethanamide

Systemtic Name: N-[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]-N-ethyl-2-(7-nitro-4-oxidanylidene-quinazolin-3-yl)ethanamide Openeye Name: N-[(3S)-1,1-dioxothiolan-3-yl]-N-ethyl-2-(7-nitro-4-oxo-quinazolin-3-yl)acetamide CAS Name: N-[(3S)-1,1-dioxo-3-thiolanyl]-N-ethyl-2-(7-nitro-4-oxo-3-quinazolinyl)acetamide IUPAC Name: N-[(3S)-1,1-dioxothiolan-3-yl]-N-ethyl-2-(7-nitro-4-oxoquinazolin-3-yl)acetamide Traditional Name: N-[(3S)-1,1-diketothiolan-3-yl]-N-ethyl-2-(4-keto-7-nitro-quinazolin-3-yl)acetamide Formula: C16H18N4O6S MolecularWeight: 394.40232

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C1CCS(=O)(=O)C1)C(=O)CN2C=NC3=C(C2=O)C=CC(=C3)[N+](=O)[O-]

Isomeric SMILES

CCN([C@H]1CCS(=O)(=O)C1)C(=O)CN2C=NC3=C(C2=O)C=CC(=C3)[N+](=O)[O-]

InChI

InChI=1S/C16H18N4O6S/c1-2-19(12-5-6-27(25,26)9-12)15(21)8-18-10-17-14-7-11(20(23)24)3-4-13(14)16(18)22/h3-4,7,10,12H,2,5-6,8-9H2,1H3/t12-/m0/s1