dimethyl 5-[2-(5-bromanyl-2-iodanyl-phenyl)carbonyloxyethanoylamino]-3-methyl-thiophene-2,4-dicarboxylate

Systemtic Name: dimethyl 5-[2-(5-bromanyl-2-iodanyl-phenyl)carbonyloxyethanoylamino]-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: dimethyl 5-[[2-(5-bromo-2-iodo-benzoyl)oxyacetyl]amino]-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 5-[[2-[(5-bromo-2-iodophenyl)-oxomethoxy]-1-oxoethyl]amino]-3-methylthiophene-2,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[[2-(5-bromo-2-iodobenzoyl)oxyacetyl]amino]-3-methylthiophene-2,4-dicarboxylate Traditional Name: 5-[[2-(5-bromo-2-iodo-benzoyl)oxyacetyl]amino]-3-methyl-thiophene-2,4-dicarboxylic acid dimethyl ester Formula: C18H15BrINO7S MolecularWeight: 596.18767

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)OC)NC(=O)COC(=O)C2=C(C=CC(=C2)Br)I)C(=O)OC

Isomeric SMILES

CC1=C(SC(=C1C(=O)OC)NC(=O)COC(=O)C2=C(C=CC(=C2)Br)I)C(=O)OC

InChI

InChI=1S/C18H15BrINO7S/c1-8-13(17(24)26-2)15(29-14(8)18(25)27-3)21-12(22)7-28-16(23)10-6-9(19)4-5-11(10)20/h4-6H,7H2,1-3H3,(H,21,22)