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

Systemtic Name: 4-(4-oxidanylidene-2-sulfanylidene-1H-[1]benzothiolo[3,2-d]pyrimidin-3-yl)butanoic acid Openeye Name: 4-(4-oxo-2-thioxo-1H-benzothiopheno[3,2-d]pyrimidin-3-yl)butanoic acid CAS Name: 4-(4-oxo-2-sulfanylidene-1H-[1]benzothiolo[3,2-d]pyrimidin-3-yl)butanoic acid IUPAC Name: 4-(4-oxo-2-sulfanylidene-1H-[1]benzothiolo[3,2-d]pyrimidin-3-yl)butanoic acid Traditional Name: 4-(4-keto-2-thioxo-1H-benzothiopheno[3,2-d]pyrimidin-3-yl)butyric acid Formula: C14H12N2O3S2 MolecularWeight: 320.38668

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C3=C(S2)C(=O)N(C(=S)N3)CCCC(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C3=C(S2)C(=O)N(C(=S)N3)CCCC(=O)O

InChI

InChI=1S/C14H12N2O3S2/c17-10(18)6-3-7-16-13(19)12-11(15-14(16)20)8-4-1-2-5-9(8)21-12/h1-2,4-5H,3,6-7H2,(H,15,20)(H,17,18)