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

Systemtic Name: 3-(4-oxidanylidene-2-sulfanylidene-1H-[1]benzothiolo[3,2-d]pyrimidin-3-yl)propanoic acid Openeye Name: 3-(4-oxo-2-thioxo-1H-benzothiopheno[3,2-d]pyrimidin-3-yl)propanoic acid CAS Name: 3-(4-oxo-2-sulfanylidene-1H-[1]benzothiolo[3,2-d]pyrimidin-3-yl)propanoic acid IUPAC Name: 3-(4-oxo-2-sulfanylidene-1H-[1]benzothiolo[3,2-d]pyrimidin-3-yl)propanoic acid Traditional Name: 3-(4-keto-2-thioxo-1H-benzothiopheno[3,2-d]pyrimidin-3-yl)propionic acid Formula: C13H10N2O3S2 MolecularWeight: 306.3601

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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)