methyl 4-bromanyl-3-(2-ethoxy-2-oxidanylidene-ethoxy)-5-[3-(propanoylamino)phenyl]thiophene-2-carboxylate

Systemtic Name: methyl 4-bromanyl-3-(2-ethoxy-2-oxidanylidene-ethoxy)-5-[3-(propanoylamino)phenyl]thiophene-2-carboxylate Openeye Name: methyl 4-bromo-3-(2-ethoxy-2-oxo-ethoxy)-5-[3-(propanoylamino)phenyl]thiophene-2-carboxylate CAS Name: 4-bromo-3-(2-ethoxy-2-oxoethoxy)-5-[3-(1-oxopropylamino)phenyl]-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 4-bromo-3-(2-ethoxy-2-oxoethoxy)-5-[3-(propanoylamino)phenyl]thiophene-2-carboxylate Traditional Name: 4-bromo-3-(2-ethoxy-2-keto-ethoxy)-5-(3-propionamidophenyl)thiophene-2-carboxylic acid methyl ester Formula: C19H20BrNO6S MolecularWeight: 470.3342

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC1=CC=CC(=C1)C2=C(C(=C(S2)C(=O)OC)OCC(=O)OCC)Br

Isomeric SMILES

CCC(=O)NC1=CC=CC(=C1)C2=C(C(=C(S2)C(=O)OC)OCC(=O)OCC)Br

InChI

InChI=1S/C19H20BrNO6S/c1-4-13(22)21-12-8-6-7-11(9-12)17-15(20)16(18(28-17)19(24)25-3)27-10-14(23)26-5-2/h6-9H,4-5,10H2,1-3H3,(H,21,22)