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

Systemtic Name: methyl 2-(1,3-benzodioxol-5-ylcarbonylamino)-5-[(3-chloranyl-4-methyl-phenyl)carbamoyl]-4-methyl-thiophene-3-carboxylate Openeye Name: methyl 2-(1,3-benzodioxole-5-carbonylamino)-5-[(3-chloro-4-methyl-phenyl)carbamoyl]-4-methyl-thiophene-3-carboxylate CAS Name: 2-[[1,3-benzodioxol-5-yl(oxo)methyl]amino]-5-[(3-chloro-4-methylanilino)-oxomethyl]-4-methyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-(1,3-benzodioxole-5-carbonylamino)-5-[(3-chloro-4-methylphenyl)carbamoyl]-4-methylthiophene-3-carboxylate Traditional Name: 5-[(3-chloro-4-methyl-phenyl)carbamoyl]-4-methyl-2-(piperonyloylamino)thiophene-3-carboxylic acid methyl ester Formula: C23H19ClN2O6S MolecularWeight: 486.92476

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C2=C(C(=C(S2)NC(=O)C3=CC4=C(C=C3)OCO4)C(=O)OC)C)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C2=C(C(=C(S2)NC(=O)C3=CC4=C(C=C3)OCO4)C(=O)OC)C)Cl

InChI

InChI=1S/C23H19ClN2O6S/c1-11-4-6-14(9-15(11)24)25-21(28)19-12(2)18(23(29)30-3)22(33-19)26-20(27)13-5-7-16-17(8-13)32-10-31-16/h4-9H,10H2,1-3H3,(H,25,28)(H,26,27)