4-(8-nitro-4-oxidanylidene-2-sulfanylidene-1H-[1]benzothiolo[3,2-d]pyrimidin-3-yl)butanoate

Systemtic Name: 4-(8-nitro-4-oxidanylidene-2-sulfanylidene-1H-[1]benzothiolo[3,2-d]pyrimidin-3-yl)butanoate Openeye Name: 4-(8-nitro-4-oxo-2-thioxo-1H-benzothiopheno[3,2-d]pyrimidin-3-yl)butanoate CAS Name: 4-(8-nitro-4-oxo-2-sulfanylidene-1H-[1]benzothiolo[3,2-d]pyrimidin-3-yl)butanoate IUPAC Name: 4-(8-nitro-4-oxo-2-sulfanylidene-1H-[1]benzothiolo[3,2-d]pyrimidin-3-yl)butanoate Traditional Name: 4-(4-keto-8-nitro-2-thioxo-1H-benzothiopheno[3,2-d]pyrimidin-3-yl)butyrate Formula: C14H10N3O5S2- MolecularWeight: 364.3763

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1[N+](=O)[O-])C3=C(S2)C(=O)N(C(=S)N3)CCCC(=O)[O-]

Isomeric SMILES

C1=CC2=C(C=C1[N+](=O)[O-])C3=C(S2)C(=O)N(C(=S)N3)CCCC(=O)[O-]

InChI

InChI=1S/C14H11N3O5S2/c18-10(19)2-1-5-16-13(20)12-11(15-14(16)23)8-6-7(17(21)22)3-4-9(8)24-12/h3-4,6H,1-2,5H2,(H,15,23)(H,18,19)/p-1