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

Systemtic Name: N-[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]-2-(7-nitro-4-oxidanylidene-quinazolin-3-yl)ethanamide Openeye Name: N-[(3S)-1,1-dioxothiolan-3-yl]-2-(7-nitro-4-oxo-quinazolin-3-yl)acetamide CAS Name: N-[(3S)-1,1-dioxo-3-thiolanyl]-2-(7-nitro-4-oxo-3-quinazolinyl)acetamide IUPAC Name: N-[(3S)-1,1-dioxothiolan-3-yl]-2-(7-nitro-4-oxoquinazolin-3-yl)acetamide Traditional Name: N-[(3S)-1,1-diketothiolan-3-yl]-2-(4-keto-7-nitro-quinazolin-3-yl)acetamide Formula: C14H14N4O6S MolecularWeight: 366.34916

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Descriptors Computed from Structure

Canonical SMILES:

C1CS(=O)(=O)CC1NC(=O)CN2C=NC3=C(C2=O)C=CC(=C3)[N+](=O)[O-]

Isomeric SMILES

C1CS(=O)(=O)C[C@H]1NC(=O)CN2C=NC3=C(C2=O)C=CC(=C3)[N+](=O)[O-]

InChI

InChI=1S/C14H14N4O6S/c19-13(16-9-3-4-25(23,24)7-9)6-17-8-15-12-5-10(18(21)22)1-2-11(12)14(17)20/h1-2,5,8-9H,3-4,6-7H2,(H,16,19)/t9-/m0/s1