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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1C(NC1=O)SC(=O)CCCNC(=O)OCC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

COC1C(NC1=O)SC(=O)CCCNC(=O)OCC2=CC=C(C=C2)[N+](=O)[O-]

InChI

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