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

Systemtic Name: 2-[6-(1,3-benzodioxol-5-yl)-4-oxidanylidene-2-sulfanylidene-1,3-thiazin-3-yl]propanoic acid Openeye Name: 2-[6-(1,3-benzodioxol-5-yl)-4-oxo-2-thioxo-1,3-thiazin-3-yl]propanoic acid CAS Name: 2-[6-(1,3-benzodioxol-5-yl)-4-oxo-2-sulfanylidene-1,3-thiazin-3-yl]propanoic acid IUPAC Name: 2-[6-(1,3-benzodioxol-5-yl)-4-oxo-2-sulfanylidene-1,3-thiazin-3-yl]propanoic acid Traditional Name: 2-[6-(1,3-benzodioxol-5-yl)-4-keto-2-thioxo-1,3-thiazin-3-yl]propionic acid Formula: C14H11NO5S2 MolecularWeight: 337.37084

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)N1C(=O)C=C(SC1=S)C2=CC3=C(C=C2)OCO3

Isomeric SMILES

CC(C(=O)O)N1C(=O)C=C(SC1=S)C2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C14H11NO5S2/c1-7(13(17)18)15-12(16)5-11(22-14(15)21)8-2-3-9-10(4-8)20-6-19-9/h2-5,7H,6H2,1H3,(H,17,18)