2-[(5E)-5-(1,3-benzodioxol-5-ylmethylidene)-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]-3-methyl-butanoic acid

Systemtic Name: 2-[(5E)-5-(1,3-benzodioxol-5-ylmethylidene)-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]-3-methyl-butanoic acid Openeye Name: 2-[(5E)-5-(1,3-benzodioxol-5-ylmethylene)-4-oxo-2-thioxo-thiazolidin-3-yl]-3-methyl-butanoic acid CAS Name: 2-[(5E)-5-(1,3-benzodioxol-5-ylmethylidene)-4-oxo-2-sulfanylidene-3-thiazolidinyl]-3-methylbutanoic acid IUPAC Name: 2-[(5E)-5-(1,3-benzodioxol-5-ylmethylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-3-methylbutanoic acid Traditional Name: 2-[(5E)-4-keto-5-piperonylidene-2-thioxo-thiazolidin-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(=CC2=CC3=C(C=C2)OCO3)SC1=S

Isomeric SMILES

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

InChI

InChI=1S/C16H15NO5S2/c1-8(2)13(15(19)20)17-14(18)12(24-16(17)23)6-9-3-4-10-11(5-9)22-7-21-10/h3-6,8,13H,7H2,1-2H3,(H,19,20)/b12-6+