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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(SC(=C1C(=O)OC)NC(=O)CN2CCN(CC2)CC3=CC4=C(C=C3)OCO4)C

Isomeric SMILES

CCC1=C(SC(=C1C(=O)OC)NC(=O)CN2CCN(CC2)CC3=CC4=C(C=C3)OCO4)C

InChI

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