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

Systemtic Name: 2-[[(5E)-5-(1,3-benzodioxol-5-ylmethylidene)-4-oxidanylidene-1,3-thiazol-2-yl]amino]-3-methyl-butanoic acid Openeye Name: 2-[[(5E)-5-(1,3-benzodioxol-5-ylmethylene)-4-oxo-thiazol-2-yl]amino]-3-methyl-butanoic acid CAS Name: 2-[[(5E)-5-(1,3-benzodioxol-5-ylmethylidene)-4-oxo-2-thiazolyl]amino]-3-methylbutanoic acid IUPAC Name: 2-[[(5E)-5-(1,3-benzodioxol-5-ylmethylidene)-4-oxo-1,3-thiazol-2-yl]amino]-3-methylbutanoic acid Traditional Name: 2-[[(5E)-4-keto-5-piperonylidene-2-thiazolin-2-yl]amino]-3-methyl-butyric acid Formula: C16H16N2O5S MolecularWeight: 348.37364

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)O)NC1=NC(=O)C(=CC2=CC3=C(C=C2)OCO3)S1

Isomeric SMILES

CC(C)C(C(=O)O)NC1=NC(=O)/C(=C\C2=CC3=C(C=C2)OCO3)/S1

InChI

InChI=1S/C16H16N2O5S/c1-8(2)13(15(20)21)17-16-18-14(19)12(24-16)6-9-3-4-10-11(5-9)23-7-22-10/h3-6,8,13H,7H2,1-2H3,(H,20,21)(H,17,18,19)/b12-6+