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

Systemtic Name: ethyl 5-(1,3-benzodioxol-5-ylmethyl)-2-[(5-bromanylthiophen-2-yl)carbonylamino]-4-methyl-thiophene-3-carboxylate Openeye Name: ethyl 5-(1,3-benzodioxol-5-ylmethyl)-2-[(5-bromothiophene-2-carbonyl)amino]-4-methyl-thiophene-3-carboxylate CAS Name: 5-(1,3-benzodioxol-5-ylmethyl)-2-[[(5-bromo-2-thiophenyl)-oxomethyl]amino]-4-methyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-(1,3-benzodioxol-5-ylmethyl)-2-[(5-bromothiophene-2-carbonyl)amino]-4-methylthiophene-3-carboxylate Traditional Name: 2-[(5-bromothiophene-2-carbonyl)amino]-4-methyl-5-piperonyl-thiophene-3-carboxylic acid ethyl ester Formula: C21H18BrNO5S2 MolecularWeight: 508.40532

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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(S4)Br

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)CC2=CC3=C(C=C2)OCO3)NC(=O)C4=CC=C(S4)Br

InChI

InChI=1S/C21H18BrNO5S2/c1-3-26-21(25)18-11(2)16(9-12-4-5-13-14(8-12)28-10-27-13)30-20(18)23-19(24)15-6-7-17(22)29-15/h4-8H,3,9-10H2,1-2H3,(H,23,24)