[1-[4-[[(4-nitrophenyl)methoxycarbonylamino]methyl]-1,3-thiazol-2-yl]azetidin-3-yl] methanesulfonate

Systemtic Name: [1-[4-[[(4-nitrophenyl)methoxycarbonylamino]methyl]-1,3-thiazol-2-yl]azetidin-3-yl] methanesulfonate Openeye Name: [1-[4-[[(4-nitrophenyl)methoxycarbonylamino]methyl]thiazol-2-yl]azetidin-3-yl] methanesulfonate CAS Name: methanesulfonic acid [1-[4-[[[(4-nitrophenyl)methoxy-oxomethyl]amino]methyl]-2-thiazolyl]-3-azetidinyl] ester IUPAC Name: [1-[4-[[(4-nitrophenyl)methoxycarbonylamino]methyl]-1,3-thiazol-2-yl]azetidin-3-yl] methanesulfonate Traditional Name: methanesulfonic acid [1-[4-[[(4-nitrobenzyl)oxycarbonylamino]methyl]thiazol-2-yl]azetidin-3-yl] ester Formula: C16H18N4O7S2 MolecularWeight: 442.46672

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)OC1CN(C1)C2=NC(=CS2)CNC(=O)OCC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)OC1CN(C1)C2=NC(=CS2)CNC(=O)OCC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C16H18N4O7S2/c1-29(24,25)27-14-7-19(8-14)15-18-12(10-28-15)6-17-16(21)26-9-11-2-4-13(5-3-11)20(22)23/h2-5,10,14H,6-9H2,1H3,(H,17,21)