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

Systemtic Name: ethyl 5-(1,3-benzodioxol-5-ylmethyl)-4-methyl-2-(2-methylpropanoylamino)thiophene-3-carboxylate Openeye Name: ethyl 5-(1,3-benzodioxol-5-ylmethyl)-4-methyl-2-(2-methylpropanoylamino)thiophene-3-carboxylate CAS Name: 5-(1,3-benzodioxol-5-ylmethyl)-4-methyl-2-[(2-methyl-1-oxopropyl)amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-(1,3-benzodioxol-5-ylmethyl)-4-methyl-2-(2-methylpropanoylamino)thiophene-3-carboxylate Traditional Name: 2-(isobutyrylamino)-4-methyl-5-piperonyl-thiophene-3-carboxylic acid ethyl ester Formula: C20H23NO5S MolecularWeight: 389.46532

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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

Isomeric SMILES

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

InChI

InChI=1S/C20H23NO5S/c1-5-24-20(23)17-12(4)16(27-19(17)21-18(22)11(2)3)9-13-6-7-14-15(8-13)26-10-25-14/h6-8,11H,5,9-10H2,1-4H3,(H,21,22)