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

Systemtic Name: methyl 2-(1,3-benzodioxol-5-ylcarbonylamino)-4-(4-chlorophenyl)-5-methyl-thiophene-3-carboxylate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C21H16ClNO5S MolecularWeight: 429.87344

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(S1)NC(=O)C2=CC3=C(C=C2)OCO3)C(=O)OC)C4=CC=C(C=C4)Cl

Isomeric SMILES

CC1=C(C(=C(S1)NC(=O)C2=CC3=C(C=C2)OCO3)C(=O)OC)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C21H16ClNO5S/c1-11-17(12-3-6-14(22)7-4-12)18(21(25)26-2)20(29-11)23-19(24)13-5-8-15-16(9-13)28-10-27-15/h3-9H,10H2,1-2H3,(H,23,24)