methyl (E)-4-[[(5E)-5-(1,3-benzodioxol-5-ylmethylidene)-4-oxidanylidene-1H-imidazol-2-yl]sulfanyl]but-2-enoate

Systemtic Name: methyl (E)-4-[[(5E)-5-(1,3-benzodioxol-5-ylmethylidene)-4-oxidanylidene-1H-imidazol-2-yl]sulfanyl]but-2-enoate Openeye Name: methyl (E)-4-[[(5E)-5-(1,3-benzodioxol-5-ylmethylene)-4-oxo-1H-imidazol-2-yl]sulfanyl]but-2-enoate CAS Name: (E)-4-[[(5E)-5-(1,3-benzodioxol-5-ylmethylidene)-4-oxo-1H-imidazol-2-yl]thio]-2-butenoic acid methyl ester IUPAC Name: methyl (E)-4-[[(5E)-5-(1,3-benzodioxol-5-ylmethylidene)-4-oxo-1H-imidazol-2-yl]sulfanyl]but-2-enoate Traditional Name: (E)-4-[[(5E)-4-keto-5-piperonylidene-2-imidazolin-2-yl]thio]but-2-enoic acid methyl ester Formula: C16H14N2O5S MolecularWeight: 346.35776

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C=CCSC1=NC(=O)C(=CC2=CC3=C(C=C2)OCO3)N1

Isomeric SMILES

COC(=O)/C=C/CSC1=NC(=O)/C(=C\C2=CC3=C(C=C2)OCO3)/N1

InChI

InChI=1S/C16H14N2O5S/c1-21-14(19)3-2-6-24-16-17-11(15(20)18-16)7-10-4-5-12-13(8-10)23-9-22-12/h2-5,7-8H,6,9H2,1H3,(H,17,18,20)/b3-2+,11-7+