ethyl 4-(1,3-benzodioxol-5-ylmethyl)-5-methyl-2-(pyridin-3-ylmethylideneamino)thiophene-3-carboxylate

Systemtic Name: ethyl 4-(1,3-benzodioxol-5-ylmethyl)-5-methyl-2-(pyridin-3-ylmethylideneamino)thiophene-3-carboxylate Openeye Name: ethyl 4-(1,3-benzodioxol-5-ylmethyl)-5-methyl-2-(3-pyridylmethyleneamino)thiophene-3-carboxylate CAS Name: 4-(1,3-benzodioxol-5-ylmethyl)-5-methyl-2-(3-pyridinylmethylideneamino)-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(1,3-benzodioxol-5-ylmethyl)-5-methyl-2-(pyridin-3-ylmethylideneamino)thiophene-3-carboxylate Traditional Name: 5-methyl-4-piperonyl-2-(3-pyridylmethyleneamino)thiophene-3-carboxylic acid ethyl ester Formula: C22H20N2O4S MolecularWeight: 408.4702

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1CC2=CC3=C(C=C2)OCO3)C)N=CC4=CN=CC=C4

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1CC2=CC3=C(C=C2)OCO3)C)N=CC4=CN=CC=C4

InChI

InChI=1S/C22H20N2O4S/c1-3-26-22(25)20-17(9-15-6-7-18-19(10-15)28-13-27-18)14(2)29-21(20)24-12-16-5-4-8-23-11-16/h4-8,10-12H,3,9,13H2,1-2H3