S-(3-ethyl-4-oxidanylidene-azetidin-2-yl) 4-[(4-nitrophenyl)methoxycarbonylamino]butanethioate

Systemtic Name: S-(3-ethyl-4-oxidanylidene-azetidin-2-yl) 4-[(4-nitrophenyl)methoxycarbonylamino]butanethioate Openeye Name: S-(3-ethyl-4-oxo-azetidin-2-yl) 4-[(4-nitrophenyl)methoxycarbonylamino]butanethioate CAS Name: 4-[[(4-nitrophenyl)methoxy-oxomethyl]amino]butanethioic acid S-(3-ethyl-4-oxo-2-azetidinyl) ester IUPAC Name: S-(3-ethyl-4-oxoazetidin-2-yl) 4-[(4-nitrophenyl)methoxycarbonylamino]butanethioate Traditional Name: 4-[(4-nitrobenzyl)oxycarbonylamino]butanethioic acid S-(3-ethyl-4-keto-azetidin-2-yl) ester Formula: C17H21N3O6S MolecularWeight: 395.43014

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C(NC1=O)SC(=O)CCCNC(=O)OCC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CCC1C(NC1=O)SC(=O)CCCNC(=O)OCC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C17H21N3O6S/c1-2-13-15(22)19-16(13)27-14(21)4-3-9-18-17(23)26-10-11-5-7-12(8-6-11)20(24)25/h5-8,13,16H,2-4,9-10H2,1H3,(H,18,23)(H,19,22)