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

Systemtic Name: ethyl 2-[(4Z)-4-(1,3-benzodioxol-5-ylmethylidene)-1-butyl-5-oxidanylidene-imidazol-2-yl]sulfanylethanoate Openeye Name: ethyl 2-[(4Z)-4-(1,3-benzodioxol-5-ylmethylene)-1-butyl-5-oxo-imidazol-2-yl]sulfanylacetate CAS Name: 2-[[(4Z)-4-(1,3-benzodioxol-5-ylmethylidene)-1-butyl-5-oxo-2-imidazolyl]thio]acetic acid ethyl ester IUPAC Name: ethyl 2-[(4Z)-4-(1,3-benzodioxol-5-ylmethylidene)-1-butyl-5-oxoimidazol-2-yl]sulfanylacetate Traditional Name: 2-[[(4Z)-1-butyl-5-keto-4-piperonylidene-2-imidazolin-2-yl]thio]acetic acid ethyl ester Formula: C19H22N2O5S MolecularWeight: 390.45338

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C(=CC2=CC3=C(C=C2)OCO3)N=C1SCC(=O)OCC

Isomeric SMILES

CCCCN1C(=O)/C(=C/C2=CC3=C(C=C2)OCO3)/N=C1SCC(=O)OCC

InChI

InChI=1S/C19H22N2O5S/c1-3-5-8-21-18(23)14(20-19(21)27-11-17(22)24-4-2)9-13-6-7-15-16(10-13)26-12-25-15/h6-7,9-10H,3-5,8,11-12H2,1-2H3/b14-9-