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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCCCOC(=O)CSC1=N/C(=C\C2=CC3=C(C=C2)OCO3)/C(=O)N1C4=CC=C(C=C4)C

InChI

InChI=1S/C24H24N2O5S/c1-3-4-11-29-22(27)14-32-24-25-19(12-17-7-10-20-21(13-17)31-15-30-20)23(28)26(24)18-8-5-16(2)6-9-18/h5-10,12-13H,3-4,11,14-15H2,1-2H3/b19-12-