ethyl 5-(1,3-benzodioxol-5-ylmethyl)-2-(2,2-dimethylpropanoylamino)-4-methyl-thiophene-3-carboxylate

Systemtic Name: ethyl 5-(1,3-benzodioxol-5-ylmethyl)-2-(2,2-dimethylpropanoylamino)-4-methyl-thiophene-3-carboxylate Openeye Name: ethyl 5-(1,3-benzodioxol-5-ylmethyl)-2-(2,2-dimethylpropanoylamino)-4-methyl-thiophene-3-carboxylate CAS Name: 5-(1,3-benzodioxol-5-ylmethyl)-2-[(2,2-dimethyl-1-oxopropyl)amino]-4-methyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-(1,3-benzodioxol-5-ylmethyl)-2-(2,2-dimethylpropanoylamino)-4-methylthiophene-3-carboxylate Traditional Name: 4-methyl-5-piperonyl-2-(pivaloylamino)thiophene-3-carboxylic acid ethyl ester Formula: C21H25NO5S MolecularWeight: 403.4919

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)CC2=CC3=C(C=C2)OCO3)NC(=O)C(C)(C)C

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)CC2=CC3=C(C=C2)OCO3)NC(=O)C(C)(C)C

InChI

InChI=1S/C21H25NO5S/c1-6-25-19(23)17-12(2)16(28-18(17)22-20(24)21(3,4)5)10-13-7-8-14-15(9-13)27-11-26-14/h7-9H,6,10-11H2,1-5H3,(H,22,24)