S-(3-methoxy-2-oxidanylidene-azetidin-1-yl) 4-[(4-nitrophenyl)methoxycarbonylamino]butanethioate

Systemtic Name: S-(3-methoxy-2-oxidanylidene-azetidin-1-yl) 4-[(4-nitrophenyl)methoxycarbonylamino]butanethioate Openeye Name: S-(3-methoxy-2-oxo-azetidin-1-yl) 4-[(4-nitrophenyl)methoxycarbonylamino]butanethioate CAS Name: 4-[[(4-nitrophenyl)methoxy-oxomethyl]amino]butanethioic acid S-(3-methoxy-2-oxo-1-azetidinyl) ester IUPAC Name: S-(3-methoxy-2-oxoazetidin-1-yl) 4-[(4-nitrophenyl)methoxycarbonylamino]butanethioate Traditional Name: 4-[(4-nitrobenzyl)oxycarbonylamino]butanethioic acid S-(2-keto-3-methoxy-azetidin-1-yl) ester Formula: C16H19N3O7S MolecularWeight: 397.40296

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Descriptors Computed from Structure

Canonical SMILES:

COC1CN(C1=O)SC(=O)CCCNC(=O)OCC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

COC1CN(C1=O)SC(=O)CCCNC(=O)OCC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C16H19N3O7S/c1-25-13-9-18(15(13)21)27-14(20)3-2-8-17-16(22)26-10-11-4-6-12(7-5-11)19(23)24/h4-7,13H,2-3,8-10H2,1H3,(H,17,22)