tert-butyl 2-[(4E)-4-(1,3-benzodioxol-5-ylmethylidene)-1-(4-methylphenyl)-5-oxidanylidene-imidazol-2-yl]sulfanylethanoate

Systemtic Name: tert-butyl 2-[(4E)-4-(1,3-benzodioxol-5-ylmethylidene)-1-(4-methylphenyl)-5-oxidanylidene-imidazol-2-yl]sulfanylethanoate Openeye Name: tert-butyl 2-[(4E)-4-(1,3-benzodioxol-5-ylmethylene)-5-oxo-1-(p-tolyl)imidazol-2-yl]sulfanylacetate CAS Name: 2-[[(4E)-4-(1,3-benzodioxol-5-ylmethylidene)-1-(4-methylphenyl)-5-oxo-2-imidazolyl]thio]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[(4E)-4-(1,3-benzodioxol-5-ylmethylidene)-1-(4-methylphenyl)-5-oxoimidazol-2-yl]sulfanylacetate Traditional Name: 2-[[(4E)-5-keto-4-piperonylidene-1-(p-tolyl)-2-imidazolin-2-yl]thio]acetic acid tert-butyl ester Formula: C24H24N2O5S MolecularWeight: 452.52276

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=O)C(=CC3=CC4=C(C=C3)OCO4)N=C2SCC(=O)OC(C)(C)C

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=O)/C(=C\C3=CC4=C(C=C3)OCO4)/N=C2SCC(=O)OC(C)(C)C

InChI

InChI=1S/C24H24N2O5S/c1-15-5-8-17(9-6-15)26-22(28)18(11-16-7-10-19-20(12-16)30-14-29-19)25-23(26)32-13-21(27)31-24(2,3)4/h5-12H,13-14H2,1-4H3/b18-11+