2-([1]benzothiolo[3,2-d]pyrimidin-4-ylsulfanyl)ethanoic acid

Systemtic Name: 2-([1]benzothiolo[3,2-d]pyrimidin-4-ylsulfanyl)ethanoic acid Openeye Name: 2-(benzothiopheno[3,2-d]pyrimidin-4-ylsulfanyl)acetic acid CAS Name: 2-([1]benzothiolo[3,2-d]pyrimidin-4-ylthio)acetic acid IUPAC Name: 2-([1]benzothiolo[3,2-d]pyrimidin-4-ylsulfanyl)acetic acid Traditional Name: 2-(benzothiopheno[3,2-d]pyrimidin-4-ylthio)acetic acid Formula: C12H8N2O2S2 MolecularWeight: 276.33412

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C3=C(S2)C(=NC=N3)SCC(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C3=C(S2)C(=NC=N3)SCC(=O)O

InChI

InChI=1S/C12H8N2O2S2/c15-9(16)5-17-12-11-10(13-6-14-12)7-3-1-2-4-8(7)18-11/h1-4,6H,5H2,(H,15,16)