methyl 2-(1,3-benzodioxol-5-ylcarbonylamino)-4-phenyl-thiophene-3-carboxylate

Systemtic Name: methyl 2-(1,3-benzodioxol-5-ylcarbonylamino)-4-phenyl-thiophene-3-carboxylate Openeye Name: methyl 2-(1,3-benzodioxole-5-carbonylamino)-4-phenyl-thiophene-3-carboxylate CAS Name: 2-[[1,3-benzodioxol-5-yl(oxo)methyl]amino]-4-phenyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-(1,3-benzodioxole-5-carbonylamino)-4-phenylthiophene-3-carboxylate Traditional Name: 4-phenyl-2-(piperonyloylamino)thiophene-3-carboxylic acid methyl ester Formula: C20H15NO5S MolecularWeight: 381.4018

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SC=C1C2=CC=CC=C2)NC(=O)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

COC(=O)C1=C(SC=C1C2=CC=CC=C2)NC(=O)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C20H15NO5S/c1-24-20(23)17-14(12-5-3-2-4-6-12)10-27-19(17)21-18(22)13-7-8-15-16(9-13)26-11-25-15/h2-10H,11H2,1H3,(H,21,22)