ethyl 2-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]ethanoylamino]-5-ethyl-thiophene-3-carboxylate

Systemtic Name: ethyl 2-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]ethanoylamino]-5-ethyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]acetyl]amino]-5-ethyl-thiophene-3-carboxylate CAS Name: 2-[[2-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-1-oxoethyl]amino]-5-ethyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]acetyl]amino]-5-ethylthiophene-3-carboxylate Traditional Name: 5-ethyl-2-[[2-(4-piperonylpiperazino)acetyl]amino]thiophene-3-carboxylic acid ethyl ester Formula: C23H29N3O5S MolecularWeight: 459.55846

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(S1)NC(=O)CN2CCN(CC2)CC3=CC4=C(C=C3)OCO4)C(=O)OCC

Isomeric SMILES

CCC1=CC(=C(S1)NC(=O)CN2CCN(CC2)CC3=CC4=C(C=C3)OCO4)C(=O)OCC

InChI

InChI=1S/C23H29N3O5S/c1-3-17-12-18(23(28)29-4-2)22(32-17)24-21(27)14-26-9-7-25(8-10-26)13-16-5-6-19-20(11-16)31-15-30-19/h5-6,11-12H,3-4,7-10,13-15H2,1-2H3,(H,24,27)