methyl 2-(1,3-benzodioxol-5-ylcarbonylamino)-5-[(4-fluorophenyl)carbamoyl]-4-methyl-thiophene-3-carboxylate

Systemtic Name: methyl 2-(1,3-benzodioxol-5-ylcarbonylamino)-5-[(4-fluorophenyl)carbamoyl]-4-methyl-thiophene-3-carboxylate Openeye Name: methyl 2-(1,3-benzodioxole-5-carbonylamino)-5-[(4-fluorophenyl)carbamoyl]-4-methyl-thiophene-3-carboxylate CAS Name: 2-[[1,3-benzodioxol-5-yl(oxo)methyl]amino]-5-[(4-fluoroanilino)-oxomethyl]-4-methyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-(1,3-benzodioxole-5-carbonylamino)-5-[(4-fluorophenyl)carbamoyl]-4-methylthiophene-3-carboxylate Traditional Name: 5-[(4-fluorophenyl)carbamoyl]-4-methyl-2-(piperonyloylamino)thiophene-3-carboxylic acid methyl ester Formula: C22H17FN2O6S MolecularWeight: 456.443583

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)OC)NC(=O)C2=CC3=C(C=C2)OCO3)C(=O)NC4=CC=C(C=C4)F

Isomeric SMILES

CC1=C(SC(=C1C(=O)OC)NC(=O)C2=CC3=C(C=C2)OCO3)C(=O)NC4=CC=C(C=C4)F

InChI

InChI=1S/C22H17FN2O6S/c1-11-17(22(28)29-2)21(25-19(26)12-3-8-15-16(9-12)31-10-30-15)32-18(11)20(27)24-14-6-4-13(23)5-7-14/h3-9H,10H2,1-2H3,(H,24,27)(H,25,26)