(2-bromanyl-4,5-diethoxy-phenyl)methyl 2-acetamido-4,5-dimethyl-thiophene-3-carboxylate

Systemtic Name: (2-bromanyl-4,5-diethoxy-phenyl)methyl 2-acetamido-4,5-dimethyl-thiophene-3-carboxylate Openeye Name: (2-bromo-4,5-diethoxy-phenyl)methyl 2-acetamido-4,5-dimethyl-thiophene-3-carboxylate CAS Name: 2-acetamido-4,5-dimethyl-3-thiophenecarboxylic acid (2-bromo-4,5-diethoxyphenyl)methyl ester IUPAC Name: (2-bromo-4,5-diethoxyphenyl)methyl 2-acetamido-4,5-dimethylthiophene-3-carboxylate Traditional Name: 2-acetamido-4,5-dimethyl-thiophene-3-carboxylic acid (2-bromo-4,5-diethoxy-benzyl) ester Formula: C20H24BrNO5S MolecularWeight: 470.37726

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C(=C1)COC(=O)C2=C(SC(=C2C)C)NC(=O)C)Br)OCC

Isomeric SMILES

CCOC1=C(C=C(C(=C1)COC(=O)C2=C(SC(=C2C)C)NC(=O)C)Br)OCC

InChI

InChI=1S/C20H24BrNO5S/c1-6-25-16-8-14(15(21)9-17(16)26-7-2)10-27-20(24)18-11(3)12(4)28-19(18)22-13(5)23/h8-9H,6-7,10H2,1-5H3,(H,22,23)