ethyl 5-(1,3-benzodioxol-5-ylmethyl)-4-methyl-2-[[(E)-3-phenylprop-2-enoyl]amino]thiophene-3-carboxylate

Systemtic Name: ethyl 5-(1,3-benzodioxol-5-ylmethyl)-4-methyl-2-[[(E)-3-phenylprop-2-enoyl]amino]thiophene-3-carboxylate Openeye Name: ethyl 5-(1,3-benzodioxol-5-ylmethyl)-4-methyl-2-[[(E)-3-phenylprop-2-enoyl]amino]thiophene-3-carboxylate CAS Name: 5-(1,3-benzodioxol-5-ylmethyl)-4-methyl-2-[[(E)-1-oxo-3-phenylprop-2-enyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-(1,3-benzodioxol-5-ylmethyl)-4-methyl-2-[[(E)-3-phenylprop-2-enoyl]amino]thiophene-3-carboxylate Traditional Name: 4-methyl-2-[[(E)-3-phenylacryloyl]amino]-5-piperonyl-thiophene-3-carboxylic acid ethyl ester Formula: C25H23NO5S MolecularWeight: 449.51882

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)CC2=CC3=C(C=C2)OCO3)NC(=O)C=CC4=CC=CC=C4

Isomeric SMILES

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

InChI

InChI=1S/C25H23NO5S/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/h4-13H,3,14-15H2,1-2H3,(H,26,27)/b12-10+