diethyl 5-[(5-bromanyl-2-oxidanyl-phenyl)carbonylamino]-3-methyl-thiophene-2,4-dicarboxylate

Systemtic Name: diethyl 5-[(5-bromanyl-2-oxidanyl-phenyl)carbonylamino]-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: diethyl 5-[(5-bromo-2-hydroxy-benzoyl)amino]-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 5-[[(5-bromo-2-hydroxyphenyl)-oxomethyl]amino]-3-methylthiophene-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 5-[(5-bromo-2-hydroxybenzoyl)amino]-3-methylthiophene-2,4-dicarboxylate Traditional Name: 5-[(5-bromo-2-hydroxy-benzoyl)amino]-3-methyl-thiophene-2,4-dicarboxylic acid diethyl ester Formula: C18H18BrNO6S MolecularWeight: 456.30762

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=O)C2=C(C=CC(=C2)Br)O

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=O)C2=C(C=CC(=C2)Br)O

InChI

InChI=1S/C18H18BrNO6S/c1-4-25-17(23)13-9(3)14(18(24)26-5-2)27-16(13)20-15(22)11-8-10(19)6-7-12(11)21/h6-8,21H,4-5H2,1-3H3,(H,20,22)