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

Systemtic Name: diethyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-(3-phenylmethoxy-1,2-thiazol-5-yl)propanedioate Openeye Name: diethyl 2-(3-benzyloxyisothiazol-5-yl)-2-(tert-butoxycarbonylamino)propanedioate CAS Name: 2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-2-(3-phenylmethoxy-5-isothiazolyl)propanedioic acid diethyl ester IUPAC Name: diethyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-(3-phenylmethoxy-1,2-thiazol-5-yl)propanedioate Traditional Name: 2-(3-benzoxyisothiazol-5-yl)-2-(tert-butoxycarbonylamino)malonic acid diethyl ester Formula: C22H28N2O7S MolecularWeight: 464.53192

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H28N2O7S/c1-6-28-18(25)22(19(26)29-7-2,23-20(27)31-21(3,4)5)16-13-17(24-32-16)30-14-15-11-9-8-10-12-15/h8-13H,6-7,14H2,1-5H3,(H,23,27)