S-phenyl 3-[(3S)-1-[(4-nitrophenyl)methoxycarbonylamino]-2-oxidanylidene-azetidin-3-yl]propanethioate

Systemtic Name: S-phenyl 3-[(3S)-1-[(4-nitrophenyl)methoxycarbonylamino]-2-oxidanylidene-azetidin-3-yl]propanethioate Openeye Name: S-phenyl 3-[(3S)-1-[(4-nitrophenyl)methoxycarbonylamino]-2-oxo-azetidin-3-yl]propanethioate CAS Name: 3-[(3S)-1-[[(4-nitrophenyl)methoxy-oxomethyl]amino]-2-oxo-3-azetidinyl]propanethioic acid S-phenyl ester IUPAC Name: S-phenyl 3-[(3S)-1-[(4-nitrophenyl)methoxycarbonylamino]-2-oxoazetidin-3-yl]propanethioate Traditional Name: 3-[(3S)-2-keto-1-[(4-nitrobenzyl)oxycarbonylamino]azetidin-3-yl]propanethioic acid S-phenyl ester Formula: C20H19N3O6S MolecularWeight: 429.44636

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(=O)N1NC(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])CCC(=O)SC3=CC=CC=C3

Isomeric SMILES

C1[C@@H](C(=O)N1NC(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])CCC(=O)SC3=CC=CC=C3

InChI

InChI=1S/C20H19N3O6S/c24-18(30-17-4-2-1-3-5-17)11-8-15-12-22(19(15)25)21-20(26)29-13-14-6-9-16(10-7-14)23(27)28/h1-7,9-10,15H,8,11-13H2,(H,21,26)/t15-/m0/s1