dimethyl 5-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]ethanoylamino]-3-methyl-thiophene-2,4-dicarboxylate

Systemtic Name: dimethyl 5-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]ethanoylamino]-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: dimethyl 5-[[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]acetyl]amino]-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 5-[[2-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-1-oxoethyl]amino]-3-methylthiophene-2,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]acetyl]amino]-3-methylthiophene-2,4-dicarboxylate Traditional Name: 3-methyl-5-[[2-(4-piperonylpiperazino)acetyl]amino]thiophene-2,4-dicarboxylic acid dimethyl ester Formula: C23H27N3O7S MolecularWeight: 489.54138

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)OC)NC(=O)CN2CCN(CC2)CC3=CC4=C(C=C3)OCO4)C(=O)OC

Isomeric SMILES

CC1=C(SC(=C1C(=O)OC)NC(=O)CN2CCN(CC2)CC3=CC4=C(C=C3)OCO4)C(=O)OC

InChI

InChI=1S/C23H27N3O7S/c1-14-19(22(28)30-2)21(34-20(14)23(29)31-3)24-18(27)12-26-8-6-25(7-9-26)11-15-4-5-16-17(10-15)33-13-32-16/h4-5,10H,6-9,11-13H2,1-3H3,(H,24,27)