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

Systemtic Name: ethyl 4-(1,3-benzodioxol-5-ylmethyl)-2-[(4-fluorophenyl)carbonylamino]-5-methyl-thiophene-3-carboxylate Openeye Name: ethyl 4-(1,3-benzodioxol-5-ylmethyl)-2-[(4-fluorobenzoyl)amino]-5-methyl-thiophene-3-carboxylate CAS Name: 4-(1,3-benzodioxol-5-ylmethyl)-2-[[(4-fluorophenyl)-oxomethyl]amino]-5-methyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(1,3-benzodioxol-5-ylmethyl)-2-[(4-fluorobenzoyl)amino]-5-methylthiophene-3-carboxylate Traditional Name: 2-[(4-fluorobenzoyl)amino]-5-methyl-4-piperonyl-thiophene-3-carboxylic acid ethyl ester Formula: C23H20FNO5S MolecularWeight: 441.472003

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H20FNO5S/c1-3-28-23(27)20-17(10-14-4-9-18-19(11-14)30-12-29-18)13(2)31-22(20)25-21(26)15-5-7-16(24)8-6-15/h4-9,11H,3,10,12H2,1-2H3,(H,25,26)