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

Systemtic Name: methyl 4-[[3-(1,3-benzodioxol-5-ylmethylcarbamoyl)-5-chloranyl-thiophen-2-yl]carbamoyl]cyclohexane-1-carboxylate Openeye Name: methyl 4-[[3-(1,3-benzodioxol-5-ylmethylcarbamoyl)-5-chloro-2-thienyl]carbamoyl]cyclohexanecarboxylate CAS Name: 4-[[[3-[(1,3-benzodioxol-5-ylmethylamino)-oxomethyl]-5-chloro-2-thiophenyl]amino]-oxomethyl]-1-cyclohexanecarboxylic acid methyl ester IUPAC Name: methyl 4-[[3-(1,3-benzodioxol-5-ylmethylcarbamoyl)-5-chlorothiophen-2-yl]carbamoyl]cyclohexane-1-carboxylate Traditional Name: 4-[[5-chloro-3-(piperonylcarbamoyl)-2-thienyl]carbamoyl]cyclohexanecarboxylic acid methyl ester Formula: C22H23ClN2O6S MolecularWeight: 478.94582

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CCC(CC1)C(=O)NC2=C(C=C(S2)Cl)C(=O)NCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

COC(=O)C1CCC(CC1)C(=O)NC2=C(C=C(S2)Cl)C(=O)NCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C22H23ClN2O6S/c1-29-22(28)14-5-3-13(4-6-14)19(26)25-21-15(9-18(23)32-21)20(27)24-10-12-2-7-16-17(8-12)31-11-30-16/h2,7-9,13-14H,3-6,10-11H2,1H3,(H,24,27)(H,25,26)