methyl 4-[[3-(1,3-benzodioxol-5-ylmethylcarbamoyl)-5-ethyl-thiophen-2-yl]carbamoyl]cyclohexane-1-carboxylate

Systemtic Name: methyl 4-[[3-(1,3-benzodioxol-5-ylmethylcarbamoyl)-5-ethyl-thiophen-2-yl]carbamoyl]cyclohexane-1-carboxylate Openeye Name: methyl 4-[[3-(1,3-benzodioxol-5-ylmethylcarbamoyl)-5-ethyl-2-thienyl]carbamoyl]cyclohexanecarboxylate CAS Name: 4-[[[3-[(1,3-benzodioxol-5-ylmethylamino)-oxomethyl]-5-ethyl-2-thiophenyl]amino]-oxomethyl]-1-cyclohexanecarboxylic acid methyl ester IUPAC Name: methyl 4-[[3-(1,3-benzodioxol-5-ylmethylcarbamoyl)-5-ethylthiophen-2-yl]carbamoyl]cyclohexane-1-carboxylate Traditional Name: 4-[[5-ethyl-3-(piperonylcarbamoyl)-2-thienyl]carbamoyl]cyclohexanecarboxylic acid methyl ester Formula: C24H28N2O6S MolecularWeight: 472.55392

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(S1)NC(=O)C2CCC(CC2)C(=O)OC)C(=O)NCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CCC1=CC(=C(S1)NC(=O)C2CCC(CC2)C(=O)OC)C(=O)NCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C24H28N2O6S/c1-3-17-11-18(22(28)25-12-14-4-9-19-20(10-14)32-13-31-19)23(33-17)26-21(27)15-5-7-16(8-6-15)24(29)30-2/h4,9-11,15-16H,3,5-8,12-13H2,1-2H3,(H,25,28)(H,26,27)