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

Systemtic Name: ethyl 5-aminocarbonyl-2-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]ethanoylamino]-4-methyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]acetyl]amino]-5-carbamoyl-4-methyl-thiophene-3-carboxylate CAS Name: 2-[[2-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-1-oxoethyl]amino]-5-carbamoyl-4-methyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]acetyl]amino]-5-carbamoyl-4-methylthiophene-3-carboxylate Traditional Name: 5-carbamoyl-4-methyl-2-[[2-(4-piperonylpiperazino)acetyl]amino]thiophene-3-carboxylic acid ethyl ester Formula: C23H28N4O6S MolecularWeight: 488.55662

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H28N4O6S/c1-3-31-23(30)19-14(2)20(21(24)29)34-22(19)25-18(28)12-27-8-6-26(7-9-27)11-15-4-5-16-17(10-15)33-13-32-16/h4-5,10H,3,6-9,11-13H2,1-2H3,(H2,24,29)(H,25,28)