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

Systemtic Name: methyl 5-(1,3-benzodioxol-5-ylmethyl)-4-methyl-2-(3-phenylpropanoylamino)thiophene-3-carboxylate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C24H23NO5S MolecularWeight: 437.50812

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)OC)NC(=O)CCC2=CC=CC=C2)CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC1=C(SC(=C1C(=O)OC)NC(=O)CCC2=CC=CC=C2)CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C24H23NO5S/c1-15-20(13-17-8-10-18-19(12-17)30-14-29-18)31-23(22(15)24(27)28-2)25-21(26)11-9-16-6-4-3-5-7-16/h3-8,10,12H,9,11,13-14H2,1-2H3,(H,25,26)