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

Systemtic Name: diethyl 5-[[(3-bromanyl-5-methoxy-4-oxidanyl-phenyl)-oxidanyl-methyl]amino]-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: diethyl 5-[[(3-bromo-4-hydroxy-5-methoxy-phenyl)-hydroxy-methyl]amino]-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 5-[[(3-bromo-4-hydroxy-5-methoxyphenyl)-hydroxymethyl]amino]-3-methylthiophene-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 5-[[(3-bromo-4-hydroxy-5-methoxyphenyl)-hydroxymethyl]amino]-3-methylthiophene-2,4-dicarboxylate Traditional Name: 5-[[(3-bromo-4-hydroxy-5-methoxy-phenyl)-hydroxy-methyl]amino]-3-methyl-thiophene-2,4-dicarboxylic acid diethyl ester Formula: C19H22BrNO7S MolecularWeight: 488.34948

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H22BrNO7S/c1-5-27-18(24)13-9(3)15(19(25)28-6-2)29-17(13)21-16(23)10-7-11(20)14(22)12(8-10)26-4/h7-8,16,21-23H,5-6H2,1-4H3