methyl 3-[2-(2-bromanyl-4,5-diethoxy-phenyl)ethanoylamino]thiophene-2-carboxylate

Systemtic Name: methyl 3-[2-(2-bromanyl-4,5-diethoxy-phenyl)ethanoylamino]thiophene-2-carboxylate Openeye Name: methyl 3-[[2-(2-bromo-4,5-diethoxy-phenyl)acetyl]amino]thiophene-2-carboxylate CAS Name: 3-[[2-(2-bromo-4,5-diethoxyphenyl)-1-oxoethyl]amino]-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 3-[[2-(2-bromo-4,5-diethoxyphenyl)acetyl]amino]thiophene-2-carboxylate Traditional Name: 3-[[2-(2-bromo-4,5-diethoxy-phenyl)acetyl]amino]thiophene-2-carboxylic acid methyl ester Formula: C18H20BrNO5S MolecularWeight: 442.3241

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C(=C1)CC(=O)NC2=C(SC=C2)C(=O)OC)Br)OCC

Isomeric SMILES

CCOC1=C(C=C(C(=C1)CC(=O)NC2=C(SC=C2)C(=O)OC)Br)OCC

InChI

InChI=1S/C18H20BrNO5S/c1-4-24-14-8-11(12(19)10-15(14)25-5-2)9-16(21)20-13-6-7-26-17(13)18(22)23-3/h6-8,10H,4-5,9H2,1-3H3,(H,20,21)