ethyl 2-(1,3-benzodioxol-5-ylcarbonylamino)-4-(4-chlorophenyl)-5-methyl-thiophene-3-carboxylate

Systemtic Name: ethyl 2-(1,3-benzodioxol-5-ylcarbonylamino)-4-(4-chlorophenyl)-5-methyl-thiophene-3-carboxylate Openeye Name: ethyl 2-(1,3-benzodioxole-5-carbonylamino)-4-(4-chlorophenyl)-5-methyl-thiophene-3-carboxylate CAS Name: 2-[[1,3-benzodioxol-5-yl(oxo)methyl]amino]-4-(4-chlorophenyl)-5-methyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-(1,3-benzodioxole-5-carbonylamino)-4-(4-chlorophenyl)-5-methylthiophene-3-carboxylate Traditional Name: 4-(4-chlorophenyl)-5-methyl-2-(piperonyloylamino)thiophene-3-carboxylic acid ethyl ester Formula: C22H18ClNO5S MolecularWeight: 443.90002

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C2=CC=C(C=C2)Cl)C)NC(=O)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C2=CC=C(C=C2)Cl)C)NC(=O)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C22H18ClNO5S/c1-3-27-22(26)19-18(13-4-7-15(23)8-5-13)12(2)30-21(19)24-20(25)14-6-9-16-17(10-14)29-11-28-16/h4-10H,3,11H2,1-2H3,(H,24,25)