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

Systemtic Name: 3-(4-oxidanylidene-2-sulfanylidene-1H-[1]benzothiolo[3,2-d]pyrimidin-3-yl)propanoate Openeye Name: 3-(4-oxo-2-thioxo-1H-benzothiopheno[3,2-d]pyrimidin-3-yl)propanoate CAS Name: 3-(4-oxo-2-sulfanylidene-1H-[1]benzothiolo[3,2-d]pyrimidin-3-yl)propanoate IUPAC Name: 3-(4-oxo-2-sulfanylidene-1H-[1]benzothiolo[3,2-d]pyrimidin-3-yl)propanoate Traditional Name: 3-(4-keto-2-thioxo-1H-benzothiopheno[3,2-d]pyrimidin-3-yl)propionate Formula: C13H9N2O3S2- MolecularWeight: 305.35216

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C3=C(S2)C(=O)N(C(=S)N3)CCC(=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C3=C(S2)C(=O)N(C(=S)N3)CCC(=O)[O-]

InChI

InChI=1S/C13H10N2O3S2/c16-9(17)5-6-15-12(18)11-10(14-13(15)19)7-3-1-2-4-8(7)20-11/h1-4H,5-6H2,(H,14,19)(H,16,17)/p-1