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

Systemtic Name: diethyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-[3-phenylmethoxy-4-(phenylmethyl)-1,2-thiazol-5-yl]propanedioate Openeye Name: diethyl 2-(4-benzyl-3-benzyloxy-isothiazol-5-yl)-2-(tert-butoxycarbonylamino)propanedioate CAS Name: 2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-2-[3-phenylmethoxy-4-(phenylmethyl)-5-isothiazolyl]propanedioic acid diethyl ester IUPAC Name: diethyl 2-(4-benzyl-3-phenylmethoxy-1,2-thiazol-5-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanedioate Traditional Name: 2-(3-benzoxy-4-benzyl-isothiazol-5-yl)-2-(tert-butoxycarbonylamino)malonic acid diethyl ester Formula: C29H34N2O7S MolecularWeight: 554.65446

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C1=C(C(=NS1)OCC2=CC=CC=C2)CC3=CC=CC=C3)(C(=O)OCC)NC(=O)OC(C)(C)C

Isomeric SMILES

CCOC(=O)C(C1=C(C(=NS1)OCC2=CC=CC=C2)CC3=CC=CC=C3)(C(=O)OCC)NC(=O)OC(C)(C)C

InChI

InChI=1S/C29H34N2O7S/c1-6-35-25(32)29(26(33)36-7-2,30-27(34)38-28(3,4)5)23-22(18-20-14-10-8-11-15-20)24(31-39-23)37-19-21-16-12-9-13-17-21/h8-17H,6-7,18-19H2,1-5H3,(H,30,34)