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

Systemtic Name: methyl 3-[2-[1,3-benzodioxol-5-ylmethyl(cyclopentyl)amino]ethanoylamino]thiophene-2-carboxylate Openeye Name: methyl 3-[[2-[1,3-benzodioxol-5-ylmethyl(cyclopentyl)amino]acetyl]amino]thiophene-2-carboxylate CAS Name: 3-[[2-[1,3-benzodioxol-5-ylmethyl(cyclopentyl)amino]-1-oxoethyl]amino]-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 3-[[2-[1,3-benzodioxol-5-ylmethyl(cyclopentyl)amino]acetyl]amino]thiophene-2-carboxylate Traditional Name: 3-[[2-[cyclopentyl(piperonyl)amino]acetyl]amino]thiophene-2-carboxylic acid methyl ester Formula: C21H24N2O5S MolecularWeight: 416.49066

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=CS1)NC(=O)CN(CC2=CC3=C(C=C2)OCO3)C4CCCC4

Isomeric SMILES

COC(=O)C1=C(C=CS1)NC(=O)CN(CC2=CC3=C(C=C2)OCO3)C4CCCC4

InChI

InChI=1S/C21H24N2O5S/c1-26-21(25)20-16(8-9-29-20)22-19(24)12-23(15-4-2-3-5-15)11-14-6-7-17-18(10-14)28-13-27-17/h6-10,15H,2-5,11-13H2,1H3,(H,22,24)