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

Systemtic Name: S-[1-[4-[[(4-nitrophenyl)methoxycarbonylamino]methyl]-1,3-thiazol-2-yl]azetidin-3-yl] ethanethioate Openeye Name: S-[1-[4-[[(4-nitrophenyl)methoxycarbonylamino]methyl]thiazol-2-yl]azetidin-3-yl] ethanethioate CAS Name: ethanethioic acid S-[1-[4-[[[(4-nitrophenyl)methoxy-oxomethyl]amino]methyl]-2-thiazolyl]-3-azetidinyl] ester IUPAC Name: S-[1-[4-[[(4-nitrophenyl)methoxycarbonylamino]methyl]-1,3-thiazol-2-yl]azetidin-3-yl] ethanethioate Traditional Name: ethanethioic acid S-[1-[4-[[(4-nitrobenzyl)oxycarbonylamino]methyl]thiazol-2-yl]azetidin-3-yl] ester Formula: C17H18N4O5S2 MolecularWeight: 422.47862

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SC1CN(C1)C2=NC(=CS2)CNC(=O)OCC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC(=O)SC1CN(C1)C2=NC(=CS2)CNC(=O)OCC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H18N4O5S2/c1-11(22)28-15-7-20(8-15)16-19-13(10-27-16)6-18-17(23)26-9-12-2-4-14(5-3-12)21(24)25/h2-5,10,15H,6-9H2,1H3,(H,18,23)