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

Systemtic Name: methyl 5-(1,3-benzodioxol-5-ylmethyl)-4-methyl-2-(2-methylpropanoylamino)thiophene-3-carboxylate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C19H21NO5S MolecularWeight: 375.43874

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)OC)NC(=O)C(C)C)CC2=CC3=C(C=C2)OCO3

Isomeric SMILES

CC1=C(SC(=C1C(=O)OC)NC(=O)C(C)C)CC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C19H21NO5S/c1-10(2)17(21)20-18-16(19(22)23-4)11(3)15(26-18)8-12-5-6-13-14(7-12)25-9-24-13/h5-7,10H,8-9H2,1-4H3,(H,20,21)