diethyl 2-(4-bromanyl-3-phenylmethoxy-1,2-thiazol-5-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanedioate

Systemtic Name: diethyl 2-(4-bromanyl-3-phenylmethoxy-1,2-thiazol-5-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanedioate Openeye Name: diethyl 2-(3-benzyloxy-4-bromo-isothiazol-5-yl)-2-(tert-butoxycarbonylamino)propanedioate CAS Name: 2-(4-bromo-3-phenylmethoxy-5-isothiazolyl)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]propanedioic acid diethyl ester IUPAC Name: diethyl 2-(4-bromo-3-phenylmethoxy-1,2-thiazol-5-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanedioate Traditional Name: 2-(3-benzoxy-4-bromo-isothiazol-5-yl)-2-(tert-butoxycarbonylamino)malonic acid diethyl ester Formula: C22H27BrN2O7S MolecularWeight: 543.42798

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C1=C(C(=NS1)OCC2=CC=CC=C2)Br)(C(=O)OCC)NC(=O)OC(C)(C)C

Isomeric SMILES

CCOC(=O)C(C1=C(C(=NS1)OCC2=CC=CC=C2)Br)(C(=O)OCC)NC(=O)OC(C)(C)C

InChI

InChI=1S/C22H27BrN2O7S/c1-6-29-18(26)22(19(27)30-7-2,24-20(28)32-21(3,4)5)16-15(23)17(25-33-16)31-13-14-11-9-8-10-12-14/h8-12H,6-7,13H2,1-5H3,(H,24,28)