2-[6-(1,3-benzodioxol-5-yl)-4-oxidanylidene-2-sulfanylidene-1,3-thiazin-3-yl]ethanoic acid

Systemtic Name: 2-[6-(1,3-benzodioxol-5-yl)-4-oxidanylidene-2-sulfanylidene-1,3-thiazin-3-yl]ethanoic acid Openeye Name: 2-[6-(1,3-benzodioxol-5-yl)-4-oxo-2-thioxo-1,3-thiazin-3-yl]acetic acid CAS Name: 2-[6-(1,3-benzodioxol-5-yl)-4-oxo-2-sulfanylidene-1,3-thiazin-3-yl]acetic acid IUPAC Name: 2-[6-(1,3-benzodioxol-5-yl)-4-oxo-2-sulfanylidene-1,3-thiazin-3-yl]acetic acid Traditional Name: 2-[6-(1,3-benzodioxol-5-yl)-4-keto-2-thioxo-1,3-thiazin-3-yl]acetic acid Formula: C13H9NO5S2 MolecularWeight: 323.34426

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C3=CC(=O)N(C(=S)S3)CC(=O)O

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C3=CC(=O)N(C(=S)S3)CC(=O)O

InChI

InChI=1S/C13H9NO5S2/c15-11-4-10(21-13(20)14(11)5-12(16)17)7-1-2-8-9(3-7)19-6-18-8/h1-4H,5-6H2,(H,16,17)