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

Systemtic Name: diethyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-(4-phenyl-3-phenylmethoxy-1,2-thiazol-5-yl)propanedioate Openeye Name: diethyl 2-(3-benzyloxy-4-phenyl-isothiazol-5-yl)-2-(tert-butoxycarbonylamino)propanedioate CAS Name: 2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-2-(4-phenyl-3-phenylmethoxy-5-isothiazolyl)propanedioic acid diethyl ester IUPAC Name: diethyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-(4-phenyl-3-phenylmethoxy-1,2-thiazol-5-yl)propanedioate Traditional Name: 2-(3-benzoxy-4-phenyl-isothiazol-5-yl)-2-(tert-butoxycarbonylamino)malonic acid diethyl ester Formula: C28H32N2O7S MolecularWeight: 540.62788

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C28H32N2O7S/c1-6-34-24(31)28(25(32)35-7-2,29-26(33)37-27(3,4)5)22-21(20-16-12-9-13-17-20)23(30-38-22)36-18-19-14-10-8-11-15-19/h8-17H,6-7,18H2,1-5H3,(H,29,33)