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

Systemtic Name: ethyl 4-(1,3-benzodioxol-5-ylmethyl)-5-methyl-2-(thiophen-2-ylmethylideneamino)thiophene-3-carboxylate Openeye Name: ethyl 4-(1,3-benzodioxol-5-ylmethyl)-5-methyl-2-(2-thienylmethyleneamino)thiophene-3-carboxylate CAS Name: 4-(1,3-benzodioxol-5-ylmethyl)-5-methyl-2-(thiophen-2-ylmethylideneamino)-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(1,3-benzodioxol-5-ylmethyl)-5-methyl-2-(thiophen-2-ylmethylideneamino)thiophene-3-carboxylate Traditional Name: 5-methyl-4-piperonyl-2-(2-thenylideneamino)thiophene-3-carboxylic acid ethyl ester Formula: C21H19NO4S2 MolecularWeight: 413.50986

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1CC2=CC3=C(C=C2)OCO3)C)N=CC4=CC=CS4

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1CC2=CC3=C(C=C2)OCO3)C)N=CC4=CC=CS4

InChI

InChI=1S/C21H19NO4S2/c1-3-24-21(23)19-16(9-14-6-7-17-18(10-14)26-12-25-17)13(2)28-20(19)22-11-15-5-4-8-27-15/h4-8,10-11H,3,9,12H2,1-2H3