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

Systemtic Name: ethyl 5-(1,3-benzodioxol-5-ylmethyl)-2-[(4-bromophenyl)carbonylamino]-4-methyl-thiophene-3-carboxylate Openeye Name: ethyl 5-(1,3-benzodioxol-5-ylmethyl)-2-[(4-bromobenzoyl)amino]-4-methyl-thiophene-3-carboxylate CAS Name: 5-(1,3-benzodioxol-5-ylmethyl)-2-[[(4-bromophenyl)-oxomethyl]amino]-4-methyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-(1,3-benzodioxol-5-ylmethyl)-2-[(4-bromobenzoyl)amino]-4-methylthiophene-3-carboxylate Traditional Name: 2-[(4-bromobenzoyl)amino]-4-methyl-5-piperonyl-thiophene-3-carboxylic acid ethyl ester Formula: C23H20BrNO5S MolecularWeight: 502.3776

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)CC2=CC3=C(C=C2)OCO3)NC(=O)C4=CC=C(C=C4)Br

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)CC2=CC3=C(C=C2)OCO3)NC(=O)C4=CC=C(C=C4)Br

InChI

InChI=1S/C23H20BrNO5S/c1-3-28-23(27)20-13(2)19(11-14-4-9-17-18(10-14)30-12-29-17)31-22(20)25-21(26)15-5-7-16(24)8-6-15/h4-10H,3,11-12H2,1-2H3,(H,25,26)