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

Systemtic Name: 2-[6-(1,3-benzodioxol-5-yl)-4-oxidanylidene-2-sulfanylidene-1,3-thiazin-3-yl]-3-methyl-butanoic acid Openeye Name: 2-[6-(1,3-benzodioxol-5-yl)-4-oxo-2-thioxo-1,3-thiazin-3-yl]-3-methyl-butanoic acid CAS Name: 2-[6-(1,3-benzodioxol-5-yl)-4-oxo-2-sulfanylidene-1,3-thiazin-3-yl]-3-methylbutanoic acid IUPAC Name: 2-[6-(1,3-benzodioxol-5-yl)-4-oxo-2-sulfanylidene-1,3-thiazin-3-yl]-3-methylbutanoic acid Traditional Name: 2-[6-(1,3-benzodioxol-5-yl)-4-keto-2-thioxo-1,3-thiazin-3-yl]-3-methyl-butyric acid Formula: C16H15NO5S2 MolecularWeight: 365.424

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H15NO5S2/c1-8(2)14(15(19)20)17-13(18)6-12(24-16(17)23)9-3-4-10-11(5-9)22-7-21-10/h3-6,8,14H,7H2,1-2H3,(H,19,20)