ethyl 4-[2-(1,3-benzodioxol-5-ylmethylamino)-4H-1,3,4-thiadiazin-5-ylidene]-2,5-dimethyl-pyrrole-3-carboxylate

Systemtic Name: ethyl 4-[2-(1,3-benzodioxol-5-ylmethylamino)-4H-1,3,4-thiadiazin-5-ylidene]-2,5-dimethyl-pyrrole-3-carboxylate Openeye Name: ethyl 4-[2-(1,3-benzodioxol-5-ylmethylamino)-4H-1,3,4-thiadiazin-5-ylidene]-2,5-dimethyl-pyrrole-3-carboxylate CAS Name: 4-[2-(1,3-benzodioxol-5-ylmethylamino)-4H-1,3,4-thiadiazin-5-ylidene]-2,5-dimethyl-3-pyrrolecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-(1,3-benzodioxol-5-ylmethylamino)-4H-1,3,4-thiadiazin-5-ylidene]-2,5-dimethylpyrrole-3-carboxylate Traditional Name: 2,5-dimethyl-4-[2-(piperonylamino)-4H-1,3,4-thiadiazin-5-ylidene]pyrrole-3-carboxylic acid ethyl ester Formula: C20H22N4O4S MolecularWeight: 414.47808

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=C(C1=C2CSC(=NN2)NCC3=CC4=C(C=C3)OCO4)C)C

Isomeric SMILES

CCOC(=O)C1=C(N=C(C1=C2CSC(=NN2)NCC3=CC4=C(C=C3)OCO4)C)C

InChI

InChI=1S/C20H22N4O4S/c1-4-26-19(25)18-12(3)22-11(2)17(18)14-9-29-20(24-23-14)21-8-13-5-6-15-16(7-13)28-10-27-15/h5-7,23H,4,8-10H2,1-3H3,(H,21,24)