ethyl 2-[(5-bromanylfuran-2-yl)carbonylamino]-5-(diethylcarbamoyl)-4-methyl-thiophene-3-carboxylate

Systemtic Name: ethyl 2-[(5-bromanylfuran-2-yl)carbonylamino]-5-(diethylcarbamoyl)-4-methyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[(5-bromofuran-2-carbonyl)amino]-5-(diethylcarbamoyl)-4-methyl-thiophene-3-carboxylate CAS Name: 2-[[(5-bromo-2-furanyl)-oxomethyl]amino]-5-[diethylamino(oxo)methyl]-4-methyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[(5-bromofuran-2-carbonyl)amino]-5-(diethylcarbamoyl)-4-methylthiophene-3-carboxylate Traditional Name: 2-[(5-bromo-2-furoyl)amino]-5-(diethylcarbamoyl)-4-methyl-thiophene-3-carboxylic acid ethyl ester Formula: C18H21BrN2O5S MolecularWeight: 457.33874

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C1=C(C(=C(S1)NC(=O)C2=CC=C(O2)Br)C(=O)OCC)C

Isomeric SMILES

CCN(CC)C(=O)C1=C(C(=C(S1)NC(=O)C2=CC=C(O2)Br)C(=O)OCC)C

InChI

InChI=1S/C18H21BrN2O5S/c1-5-21(6-2)17(23)14-10(4)13(18(24)25-7-3)16(27-14)20-15(22)11-8-9-12(19)26-11/h8-9H,5-7H2,1-4H3,(H,20,22)