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

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

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

Isomeric SMILES

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

InChI

InChI=1S/C14H11NO5S2/c16-12-6-11(22-14(21)15(12)4-3-13(17)18)8-1-2-9-10(5-8)20-7-19-9/h1-2,5-6H,3-4,7H2,(H,17,18)