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

Systemtic Name: ethyl 2-[2-[1,3-benzodioxol-5-ylmethyl(cyclopentyl)amino]ethanoylamino]thiophene-3-carboxylate Openeye Name: ethyl 2-[[2-[1,3-benzodioxol-5-ylmethyl(cyclopentyl)amino]acetyl]amino]thiophene-3-carboxylate CAS Name: 2-[[2-[1,3-benzodioxol-5-ylmethyl(cyclopentyl)amino]-1-oxoethyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-[1,3-benzodioxol-5-ylmethyl(cyclopentyl)amino]acetyl]amino]thiophene-3-carboxylate Traditional Name: 2-[[2-[cyclopentyl(piperonyl)amino]acetyl]amino]thiophene-3-carboxylic acid ethyl ester Formula: C22H26N2O5S MolecularWeight: 430.51724

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC=C1)NC(=O)CN(CC2=CC3=C(C=C2)OCO3)C4CCCC4

Isomeric SMILES

CCOC(=O)C1=C(SC=C1)NC(=O)CN(CC2=CC3=C(C=C2)OCO3)C4CCCC4

InChI

InChI=1S/C22H26N2O5S/c1-2-27-22(26)17-9-10-30-21(17)23-20(25)13-24(16-5-3-4-6-16)12-15-7-8-18-19(11-15)29-14-28-18/h7-11,16H,2-6,12-14H2,1H3,(H,23,25)