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

Systemtic Name: ethyl 5-(1,3-benzodioxol-5-ylmethyl)-4-methyl-2-(propanoylamino)thiophene-3-carboxylate Openeye Name: ethyl 5-(1,3-benzodioxol-5-ylmethyl)-4-methyl-2-(propanoylamino)thiophene-3-carboxylate CAS Name: 5-(1,3-benzodioxol-5-ylmethyl)-4-methyl-2-(1-oxopropylamino)-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-(1,3-benzodioxol-5-ylmethyl)-4-methyl-2-(propanoylamino)thiophene-3-carboxylate Traditional Name: 4-methyl-5-piperonyl-2-propionamido-thiophene-3-carboxylic acid ethyl ester Formula: C19H21NO5S MolecularWeight: 375.43874

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC1=C(C(=C(S1)CC2=CC3=C(C=C2)OCO3)C)C(=O)OCC

Isomeric SMILES

CCC(=O)NC1=C(C(=C(S1)CC2=CC3=C(C=C2)OCO3)C)C(=O)OCC

InChI

InChI=1S/C19H21NO5S/c1-4-16(21)20-18-17(19(22)23-5-2)11(3)15(26-18)9-12-6-7-13-14(8-12)25-10-24-13/h6-8H,4-5,9-10H2,1-3H3,(H,20,21)