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

Systemtic Name: methyl 2-(1,3-benzodioxol-5-ylcarbonylamino)-4-methyl-5-pyrrolidin-1-ylcarbonyl-thiophene-3-carboxylate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C20H20N2O6S MolecularWeight: 416.4476

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)OC)NC(=O)C2=CC3=C(C=C2)OCO3)C(=O)N4CCCC4

Isomeric SMILES

CC1=C(SC(=C1C(=O)OC)NC(=O)C2=CC3=C(C=C2)OCO3)C(=O)N4CCCC4

InChI

InChI=1S/C20H20N2O6S/c1-11-15(20(25)26-2)18(29-16(11)19(24)22-7-3-4-8-22)21-17(23)12-5-6-13-14(9-12)28-10-27-13/h5-6,9H,3-4,7-8,10H2,1-2H3,(H,21,23)