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

Systemtic Name: methyl 5-(1,3-benzodioxol-5-ylmethyl)-2-[(4-cyanophenyl)carbonylamino]-4-methyl-thiophene-3-carboxylate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C23H18N2O5S MolecularWeight: 434.46442

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H18N2O5S/c1-13-19(10-15-5-8-17-18(9-15)30-12-29-17)31-22(20(13)23(27)28-2)25-21(26)16-6-3-14(11-24)4-7-16/h3-9H,10,12H2,1-2H3,(H,25,26)