dimethyl 2-acetamido-2-[(4-bromanyl-3-methoxy-1,2-thiazol-5-yl)methyl]propanedioate

Systemtic Name: dimethyl 2-acetamido-2-[(4-bromanyl-3-methoxy-1,2-thiazol-5-yl)methyl]propanedioate Openeye Name: dimethyl 2-acetamido-2-[(4-bromo-3-methoxy-isothiazol-5-yl)methyl]propanedioate CAS Name: 2-acetamido-2-[(4-bromo-3-methoxy-5-isothiazolyl)methyl]propanedioic acid dimethyl ester IUPAC Name: dimethyl 2-acetamido-2-[(4-bromo-3-methoxy-1,2-thiazol-5-yl)methyl]propanedioate Traditional Name: 2-acetamido-2-[(4-bromo-3-methoxy-isothiazol-5-yl)methyl]malonic acid dimethyl ester Formula: C12H15BrN2O6S MolecularWeight: 395.2263

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CC1=C(C(=NS1)OC)Br)(C(=O)OC)C(=O)OC

Isomeric SMILES

CC(=O)NC(CC1=C(C(=NS1)OC)Br)(C(=O)OC)C(=O)OC

InChI

InChI=1S/C12H15BrN2O6S/c1-6(16)14-12(10(17)20-3,11(18)21-4)5-7-8(13)9(19-2)15-22-7/h5H2,1-4H3,(H,14,16)