ethyl 4-(1,3-benzodioxol-5-ylmethyl)-2-[(4-fluorophenyl)methylideneamino]-5-methyl-thiophene-3-carboxylate

Systemtic Name: ethyl 4-(1,3-benzodioxol-5-ylmethyl)-2-[(4-fluorophenyl)methylideneamino]-5-methyl-thiophene-3-carboxylate Openeye Name: ethyl 4-(1,3-benzodioxol-5-ylmethyl)-2-[(4-fluorophenyl)methyleneamino]-5-methyl-thiophene-3-carboxylate CAS Name: 4-(1,3-benzodioxol-5-ylmethyl)-2-[(4-fluorophenyl)methylideneamino]-5-methyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(1,3-benzodioxol-5-ylmethyl)-2-[(4-fluorophenyl)methylideneamino]-5-methylthiophene-3-carboxylate Traditional Name: 2-[(4-fluorobenzylidene)amino]-5-methyl-4-piperonyl-thiophene-3-carboxylic acid ethyl ester Formula: C23H20FNO4S MolecularWeight: 425.472603

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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=C(C=C4)F

Isomeric SMILES

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

InChI

InChI=1S/C23H20FNO4S/c1-3-27-23(26)21-18(10-16-6-9-19-20(11-16)29-13-28-19)14(2)30-22(21)25-12-15-4-7-17(24)8-5-15/h4-9,11-12H,3,10,13H2,1-2H3