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

Systemtic Name: propan-2-yl 2-(1,3-benzodioxol-5-ylcarbonylamino)-4-(3-bromophenyl)thiophene-3-carboxylate Openeye Name: isopropyl 2-(1,3-benzodioxole-5-carbonylamino)-4-(3-bromophenyl)thiophene-3-carboxylate CAS Name: 2-[[1,3-benzodioxol-5-yl(oxo)methyl]amino]-4-(3-bromophenyl)-3-thiophenecarboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 2-(1,3-benzodioxole-5-carbonylamino)-4-(3-bromophenyl)thiophene-3-carboxylate Traditional Name: 4-(3-bromophenyl)-2-(piperonyloylamino)thiophene-3-carboxylic acid isopropyl ester Formula: C22H18BrNO5S MolecularWeight: 488.35102

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H18BrNO5S/c1-12(2)29-22(26)19-16(13-4-3-5-15(23)8-13)10-30-21(19)24-20(25)14-6-7-17-18(9-14)28-11-27-17/h3-10,12H,11H2,1-2H3,(H,24,25)