ethyl 5-(1,3-benzodioxol-5-ylmethyl)-2-[(4-cyanophenyl)carbonylamino]-4-methyl-thiophene-3-carboxylate

Systemtic Name: ethyl 5-(1,3-benzodioxol-5-ylmethyl)-2-[(4-cyanophenyl)carbonylamino]-4-methyl-thiophene-3-carboxylate Openeye Name: ethyl 5-(1,3-benzodioxol-5-ylmethyl)-2-[(4-cyanobenzoyl)amino]-4-methyl-thiophene-3-carboxylate CAS Name: 5-(1,3-benzodioxol-5-ylmethyl)-2-[[(4-cyanophenyl)-oxomethyl]amino]-4-methyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-(1,3-benzodioxol-5-ylmethyl)-2-[(4-cyanobenzoyl)amino]-4-methylthiophene-3-carboxylate Traditional Name: 2-[(4-cyanobenzoyl)amino]-4-methyl-5-piperonyl-thiophene-3-carboxylic acid ethyl ester Formula: C24H20N2O5S MolecularWeight: 448.491

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H20N2O5S/c1-3-29-24(28)21-14(2)20(11-16-6-9-18-19(10-16)31-13-30-18)32-23(21)26-22(27)17-7-4-15(12-25)5-8-17/h4-10H,3,11,13H2,1-2H3,(H,26,27)