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

Systemtic Name: ethyl 2-[2-[1,3-benzodioxol-5-ylmethyl(methyl)amino]ethanoylamino]-5-propan-2-yl-thiophene-3-carboxylate Openeye Name: ethyl 2-[[2-[1,3-benzodioxol-5-ylmethyl(methyl)amino]acetyl]amino]-5-isopropyl-thiophene-3-carboxylate CAS Name: 2-[[2-[1,3-benzodioxol-5-ylmethyl(methyl)amino]-1-oxoethyl]amino]-5-propan-2-yl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-[1,3-benzodioxol-5-ylmethyl(methyl)amino]acetyl]amino]-5-propan-2-ylthiophene-3-carboxylate Traditional Name: 5-isopropyl-2-[[2-[methyl(piperonyl)amino]acetyl]amino]thiophene-3-carboxylic acid ethyl ester Formula: C21H26N2O5S MolecularWeight: 418.50654

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1)C(C)C)NC(=O)CN(C)CC2=CC3=C(C=C2)OCO3

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1)C(C)C)NC(=O)CN(C)CC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C21H26N2O5S/c1-5-26-21(25)15-9-18(13(2)3)29-20(15)22-19(24)11-23(4)10-14-6-7-16-17(8-14)28-12-27-16/h6-9,13H,5,10-12H2,1-4H3,(H,22,24)