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

Systemtic Name: diethyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-(4-phenethyl-3-phenylmethoxy-1,2-thiazol-5-yl)propanedioate Openeye Name: diethyl 2-(3-benzyloxy-4-phenethyl-isothiazol-5-yl)-2-(tert-butoxycarbonylamino)propanedioate CAS Name: 2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-2-(4-phenethyl-3-phenylmethoxy-5-isothiazolyl)propanedioic acid diethyl ester IUPAC Name: diethyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-(4-phenethyl-3-phenylmethoxy-1,2-thiazol-5-yl)propanedioate Traditional Name: 2-(3-benzoxy-4-phenethyl-isothiazol-5-yl)-2-(tert-butoxycarbonylamino)malonic acid diethyl ester Formula: C30H36N2O7S MolecularWeight: 568.68104

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C1=C(C(=NS1)OCC2=CC=CC=C2)CCC3=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)CCC3=CC=CC=C3)(C(=O)OCC)NC(=O)OC(C)(C)C

InChI

InChI=1S/C30H36N2O7S/c1-6-36-26(33)30(27(34)37-7-2,31-28(35)39-29(3,4)5)24-23(19-18-21-14-10-8-11-15-21)25(32-40-24)38-20-22-16-12-9-13-17-22/h8-17H,6-7,18-20H2,1-5H3,(H,31,35)