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

Systemtic Name: diethyl 5-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]ethanoylamino]-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: diethyl 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 diethyl ester IUPAC Name: diethyl 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 diethyl ester Formula: C25H31N3O7S MolecularWeight: 517.59454

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=O)CN2CCN(CC2)CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=O)CN2CCN(CC2)CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C25H31N3O7S/c1-4-32-24(30)21-16(3)22(25(31)33-5-2)36-23(21)26-20(29)14-28-10-8-27(9-11-28)13-17-6-7-18-19(12-17)35-15-34-18/h6-7,12H,4-5,8-11,13-15H2,1-3H3,(H,26,29)