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

Systemtic Name: ethyl 2-(1,3-benzodioxol-5-ylcarbonylamino)-4-(4-bromophenyl)thiophene-3-carboxylate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 2-(1,3-benzodioxole-5-carbonylamino)-4-(4-bromophenyl)thiophene-3-carboxylate Traditional Name: 4-(4-bromophenyl)-2-(piperonyloylamino)thiophene-3-carboxylic acid ethyl ester Formula: C21H16BrNO5S MolecularWeight: 474.32444

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H16BrNO5S/c1-2-26-21(25)18-15(12-3-6-14(22)7-4-12)10-29-20(18)23-19(24)13-5-8-16-17(9-13)28-11-27-16/h3-10H,2,11H2,1H3,(H,23,24)