ethyl 2-(1,3-benzodioxol-5-ylcarbonylamino)-4-methyl-5-pyrrolidin-1-ylcarbonyl-thiophene-3-carboxylate

Systemtic Name: ethyl 2-(1,3-benzodioxol-5-ylcarbonylamino)-4-methyl-5-pyrrolidin-1-ylcarbonyl-thiophene-3-carboxylate Openeye Name: ethyl 2-(1,3-benzodioxole-5-carbonylamino)-4-methyl-5-(pyrrolidine-1-carbonyl)thiophene-3-carboxylate CAS Name: 2-[[1,3-benzodioxol-5-yl(oxo)methyl]amino]-4-methyl-5-[oxo(1-pyrrolidinyl)methyl]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-(1,3-benzodioxole-5-carbonylamino)-4-methyl-5-(pyrrolidine-1-carbonyl)thiophene-3-carboxylate Traditional Name: 4-methyl-2-(piperonyloylamino)-5-(pyrrolidine-1-carbonyl)thiophene-3-carboxylic acid ethyl ester Formula: C21H22N2O6S MolecularWeight: 430.47418

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C(=O)N2CCCC2)NC(=O)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)N2CCCC2)NC(=O)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C21H22N2O6S/c1-3-27-21(26)16-12(2)17(20(25)23-8-4-5-9-23)30-19(16)22-18(24)13-6-7-14-15(10-13)29-11-28-14/h6-7,10H,3-5,8-9,11H2,1-2H3,(H,22,24)