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

Systemtic Name: ethyl 2-[4-(1,3-benzodioxol-5-ylmethylidene)-1-(4-methylphenyl)-5-oxidanylidene-imidazol-2-yl]sulfanylethanoate Openeye Name: ethyl 2-[4-(1,3-benzodioxol-5-ylmethylene)-5-oxo-1-(p-tolyl)imidazol-2-yl]sulfanylacetate CAS Name: 2-[[4-(1,3-benzodioxol-5-ylmethylidene)-1-(4-methylphenyl)-5-oxo-2-imidazolyl]thio]acetic acid ethyl ester IUPAC Name: ethyl 2-[4-(1,3-benzodioxol-5-ylmethylidene)-1-(4-methylphenyl)-5-oxoimidazol-2-yl]sulfanylacetate Traditional Name: 2-[[5-keto-4-piperonylidene-1-(p-tolyl)-2-imidazolin-2-yl]thio]acetic acid ethyl ester Formula: C22H20N2O5S MolecularWeight: 424.4696

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CSC1=NC(=CC2=CC3=C(C=C2)OCO3)C(=O)N1C4=CC=C(C=C4)C

Isomeric SMILES

CCOC(=O)CSC1=NC(=CC2=CC3=C(C=C2)OCO3)C(=O)N1C4=CC=C(C=C4)C

InChI

InChI=1S/C22H20N2O5S/c1-3-27-20(25)12-30-22-23-17(10-15-6-9-18-19(11-15)29-13-28-18)21(26)24(22)16-7-4-14(2)5-8-16/h4-11H,3,12-13H2,1-2H3