ethyl 2-(1,3-benzodioxol-5-ylmethylideneamino)-4-(4-fluorophenyl)thiophene-3-carboxylate

Systemtic Name: ethyl 2-(1,3-benzodioxol-5-ylmethylideneamino)-4-(4-fluorophenyl)thiophene-3-carboxylate Openeye Name: ethyl 2-(1,3-benzodioxol-5-ylmethyleneamino)-4-(4-fluorophenyl)thiophene-3-carboxylate CAS Name: 2-(1,3-benzodioxol-5-ylmethylideneamino)-4-(4-fluorophenyl)-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-(1,3-benzodioxol-5-ylmethylideneamino)-4-(4-fluorophenyl)thiophene-3-carboxylate Traditional Name: 4-(4-fluorophenyl)-2-(piperonylideneamino)thiophene-3-carboxylic acid ethyl ester Formula: C21H16FNO4S MolecularWeight: 397.419443

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC=C1C2=CC=C(C=C2)F)N=CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CCOC(=O)C1=C(SC=C1C2=CC=C(C=C2)F)N=CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C21H16FNO4S/c1-2-25-21(24)19-16(14-4-6-15(22)7-5-14)11-28-20(19)23-10-13-3-8-17-18(9-13)27-12-26-17/h3-11H,2,12H2,1H3