ethyl 5-[1-[2-(1,3-benzodioxol-5-ylmethylcarbamothioyl)hydrazinyl]ethylidene]-2,4-dimethyl-pyrrole-3-carboxylate

Systemtic Name: ethyl 5-[1-[2-(1,3-benzodioxol-5-ylmethylcarbamothioyl)hydrazinyl]ethylidene]-2,4-dimethyl-pyrrole-3-carboxylate Openeye Name: ethyl 5-[1-[2-(1,3-benzodioxol-5-ylmethylcarbamothioyl)hydrazino]ethylidene]-2,4-dimethyl-pyrrole-3-carboxylate CAS Name: 5-[1-[[(1,3-benzodioxol-5-ylmethylamino)-sulfanylidenemethyl]hydrazo]ethylidene]-2,4-dimethyl-3-pyrrolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[1-[2-(1,3-benzodioxol-5-ylmethylcarbamothioyl)hydrazinyl]ethylidene]-2,4-dimethylpyrrole-3-carboxylate Traditional Name: 2,4-dimethyl-5-[1-[N'-(piperonylthiocarbamoyl)hydrazino]ethylidene]pyrrole-3-carboxylic acid ethyl ester Formula: C20H24N4O4S MolecularWeight: 416.49396

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(C)NNC(=S)NCC2=CC3=C(C=C2)OCO3)N=C1C)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(C)NNC(=S)NCC2=CC3=C(C=C2)OCO3)N=C1C)C

InChI

InChI=1S/C20H24N4O4S/c1-5-26-19(25)17-11(2)18(22-12(17)3)13(4)23-24-20(29)21-9-14-6-7-15-16(8-14)28-10-27-15/h6-8,23H,5,9-10H2,1-4H3,(H2,21,24,29)