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

Systemtic Name: 5-(1,3-benzodioxol-5-ylmethyl)-4-methyl-2-(propanoylamino)thiophene-3-carboxamide Openeye Name: 5-(1,3-benzodioxol-5-ylmethyl)-4-methyl-2-(propanoylamino)thiophene-3-carboxamide CAS Name: 5-(1,3-benzodioxol-5-ylmethyl)-4-methyl-2-(1-oxopropylamino)-3-thiophenecarboxamide IUPAC Name: 5-(1,3-benzodioxol-5-ylmethyl)-4-methyl-2-(propanoylamino)thiophene-3-carboxamide Traditional Name: 4-methyl-5-piperonyl-2-propionamido-thiophene-3-carboxamide Formula: C17H18N2O4S MolecularWeight: 346.40082

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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)N

Isomeric SMILES

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

InChI

InChI=1S/C17H18N2O4S/c1-3-14(20)19-17-15(16(18)21)9(2)13(24-17)7-10-4-5-11-12(6-10)23-8-22-11/h4-6H,3,7-8H2,1-2H3,(H2,18,21)(H,19,20)