2-[2-oxidanylidene-4-(3-oxidanylidene-3-pyridin-2-ylsulfanyl-propyl)-3-(phenylmethoxycarbonylamino)azetidin-1-yl]ethanoate

Systemtic Name: 2-[2-oxidanylidene-4-(3-oxidanylidene-3-pyridin-2-ylsulfanyl-propyl)-3-(phenylmethoxycarbonylamino)azetidin-1-yl]ethanoate Openeye Name: 2-[3-(benzyloxycarbonylamino)-2-oxo-4-[3-oxo-3-(2-pyridylsulfanyl)propyl]azetidin-1-yl]acetate CAS Name: 2-[2-oxo-4-[3-oxo-3-(2-pyridinylthio)propyl]-3-(phenylmethoxycarbonylamino)-1-azetidinyl]acetate IUPAC Name: 2-[2-oxo-4-(3-oxo-3-pyridin-2-ylsulfanylpropyl)-3-(phenylmethoxycarbonylamino)azetidin-1-yl]acetate Traditional Name: 2-[3-(benzyloxycarbonylamino)-2-keto-4-[3-keto-3-(2-pyridylthio)propyl]azetidin-1-yl]acetate Formula: C21H20N3O6S- MolecularWeight: 442.465

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)NC2C(N(C2=O)CC(=O)[O-])CCC(=O)SC3=CC=CC=N3

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)NC2C(N(C2=O)CC(=O)[O-])CCC(=O)SC3=CC=CC=N3

InChI

InChI=1S/C21H21N3O6S/c25-17(26)12-24-15(9-10-18(27)31-16-8-4-5-11-22-16)19(20(24)28)23-21(29)30-13-14-6-2-1-3-7-14/h1-8,11,15,19H,9-10,12-13H2,(H,23,29)(H,25,26)/p-1