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

Systemtic Name: methyl 2-(1,3-benzodioxol-5-ylcarbonylamino)-4-(4-bromophenyl)thiophene-3-carboxylate Openeye Name: methyl 2-(1,3-benzodioxole-5-carbonylamino)-4-(4-bromophenyl)thiophene-3-carboxylate CAS Name: 2-[[1,3-benzodioxol-5-yl(oxo)methyl]amino]-4-(4-bromophenyl)-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-(1,3-benzodioxole-5-carbonylamino)-4-(4-bromophenyl)thiophene-3-carboxylate Traditional Name: 4-(4-bromophenyl)-2-(piperonyloylamino)thiophene-3-carboxylic acid methyl ester Formula: C20H14BrNO5S MolecularWeight: 460.29786

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H14BrNO5S/c1-25-20(24)17-14(11-2-5-13(21)6-3-11)9-28-19(17)22-18(23)12-4-7-15-16(8-12)27-10-26-15/h2-9H,10H2,1H3,(H,22,23)