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

Systemtic Name: methyl 4-[[3-(1,3-benzodioxol-5-ylmethylcarbamoyl)-5-methyl-thiophen-2-yl]carbamoyl]cyclohexane-1-carboxylate Openeye Name: methyl 4-[[3-(1,3-benzodioxol-5-ylmethylcarbamoyl)-5-methyl-2-thienyl]carbamoyl]cyclohexanecarboxylate CAS Name: 4-[[[3-[(1,3-benzodioxol-5-ylmethylamino)-oxomethyl]-5-methyl-2-thiophenyl]amino]-oxomethyl]-1-cyclohexanecarboxylic acid methyl ester IUPAC Name: methyl 4-[[3-(1,3-benzodioxol-5-ylmethylcarbamoyl)-5-methylthiophen-2-yl]carbamoyl]cyclohexane-1-carboxylate Traditional Name: 4-[[5-methyl-3-(piperonylcarbamoyl)-2-thienyl]carbamoyl]cyclohexanecarboxylic acid methyl ester Formula: C23H26N2O6S MolecularWeight: 458.52734

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(S1)NC(=O)C2CCC(CC2)C(=O)OC)C(=O)NCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC1=CC(=C(S1)NC(=O)C2CCC(CC2)C(=O)OC)C(=O)NCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C23H26N2O6S/c1-13-9-17(21(27)24-11-14-3-8-18-19(10-14)31-12-30-18)22(32-13)25-20(26)15-4-6-16(7-5-15)23(28)29-2/h3,8-10,15-16H,4-7,11-12H2,1-2H3,(H,24,27)(H,25,26)