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

Systemtic Name: ethyl 5-(1,3-benzodioxol-5-ylmethyl)-4-methyl-2-(3-phenylpropanoylamino)thiophene-3-carboxylate Openeye Name: ethyl 5-(1,3-benzodioxol-5-ylmethyl)-4-methyl-2-(3-phenylpropanoylamino)thiophene-3-carboxylate CAS Name: 5-(1,3-benzodioxol-5-ylmethyl)-4-methyl-2-[(1-oxo-3-phenylpropyl)amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-(1,3-benzodioxol-5-ylmethyl)-4-methyl-2-(3-phenylpropanoylamino)thiophene-3-carboxylate Traditional Name: 2-(hydrocinnamoylamino)-4-methyl-5-piperonyl-thiophene-3-carboxylic acid ethyl ester Formula: C25H25NO5S MolecularWeight: 451.5347

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)CC2=CC3=C(C=C2)OCO3)NC(=O)CCC4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)CC2=CC3=C(C=C2)OCO3)NC(=O)CCC4=CC=CC=C4

InChI

InChI=1S/C25H25NO5S/c1-3-29-25(28)23-16(2)21(14-18-9-11-19-20(13-18)31-15-30-19)32-24(23)26-22(27)12-10-17-7-5-4-6-8-17/h4-9,11,13H,3,10,12,14-15H2,1-2H3,(H,26,27)