ethyl 2-[(5-bromanyl-1-benzofuran-2-yl)carbonylamino]-5-ethyl-thiophene-3-carboxylate

Systemtic Name: ethyl 2-[(5-bromanyl-1-benzofuran-2-yl)carbonylamino]-5-ethyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[(5-bromobenzofuran-2-carbonyl)amino]-5-ethyl-thiophene-3-carboxylate CAS Name: 2-[[(5-bromo-2-benzofuranyl)-oxomethyl]amino]-5-ethyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[(5-bromo-1-benzofuran-2-carbonyl)amino]-5-ethylthiophene-3-carboxylate Traditional Name: 2-[(5-bromobenzofuran-2-carbonyl)amino]-5-ethyl-thiophene-3-carboxylic acid ethyl ester Formula: C18H16BrNO4S MolecularWeight: 422.29294

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(S1)NC(=O)C2=CC3=C(O2)C=CC(=C3)Br)C(=O)OCC

Isomeric SMILES

CCC1=CC(=C(S1)NC(=O)C2=CC3=C(O2)C=CC(=C3)Br)C(=O)OCC

InChI

InChI=1S/C18H16BrNO4S/c1-3-12-9-13(18(22)23-4-2)17(25-12)20-16(21)15-8-10-7-11(19)5-6-14(10)24-15/h5-9H,3-4H2,1-2H3,(H,20,21)