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

Systemtic Name: methyl 5-(1,3-benzodioxol-5-ylmethyl)-4-methyl-2-(propanoylamino)thiophene-3-carboxylate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C18H19NO5S MolecularWeight: 361.41216

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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)OC

Isomeric SMILES

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

InChI

InChI=1S/C18H19NO5S/c1-4-15(20)19-17-16(18(21)22-3)10(2)14(25-17)8-11-5-6-12-13(7-11)24-9-23-12/h5-7H,4,8-9H2,1-3H3,(H,19,20)