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

Systemtic Name: ethyl 5-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]ethanoylamino]-3-methyl-thiophene-2-carboxylate Openeye Name: ethyl 5-[[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]acetyl]amino]-3-methyl-thiophene-2-carboxylate CAS Name: 5-[[2-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-1-oxoethyl]amino]-3-methyl-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]acetyl]amino]-3-methylthiophene-2-carboxylate Traditional Name: 3-methyl-5-[[2-(4-piperonylpiperazino)acetyl]amino]thiophene-2-carboxylic acid ethyl ester Formula: C22H27N3O5S MolecularWeight: 445.53188

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C=C(S1)NC(=O)CN2CCN(CC2)CC3=CC4=C(C=C3)OCO4)C

Isomeric SMILES

CCOC(=O)C1=C(C=C(S1)NC(=O)CN2CCN(CC2)CC3=CC4=C(C=C3)OCO4)C

InChI

InChI=1S/C22H27N3O5S/c1-3-28-22(27)21-15(2)10-20(31-21)23-19(26)13-25-8-6-24(7-9-25)12-16-4-5-17-18(11-16)30-14-29-17/h4-5,10-11H,3,6-9,12-14H2,1-2H3,(H,23,26)