2-aminocarbonyl-3-[[(2Z)-2-(2-azanyl-1,3-thiazol-4-yl)-2-[2-methyl-1-[(4-nitrophenyl)methoxy]-1-oxidanylidene-propan-2-yl]oxyimino-ethanoyl]amino]-4-oxidanylidene-azetidine-1-sulfonic acid

Systemtic Name: 2-aminocarbonyl-3-[[(2Z)-2-(2-azanyl-1,3-thiazol-4-yl)-2-[2-methyl-1-[(4-nitrophenyl)methoxy]-1-oxidanylidene-propan-2-yl]oxyimino-ethanoyl]amino]-4-oxidanylidene-azetidine-1-sulfonic acid Openeye Name: 3-[[(2Z)-2-(2-aminothiazol-4-yl)-2-[1,1-dimethyl-2-[(4-nitrophenyl)methoxy]-2-oxo-ethoxy]imino-acetyl]amino]-2-carbamoyl-4-oxo-azetidine-1-sulfonic acid CAS Name: 3-[[(2Z)-2-(2-amino-4-thiazolyl)-2-[2-methyl-1-[(4-nitrophenyl)methoxy]-1-oxopropan-2-yl]oxyimino-1-oxoethyl]amino]-2-carbamoyl-4-oxo-1-azetidinesulfonic acid IUPAC Name: 3-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-[2-methyl-1-[(4-nitrophenyl)methoxy]-1-oxopropan-2-yl]oxyiminoacetyl]amino]-2-carbamoyl-4-oxoazetidine-1-sulfonic acid Traditional Name: 3-[[(2Z)-2-(2-aminothiazol-4-yl)-2-[2-keto-1,1-dimethyl-2-(4-nitrobenzyl)oxy-ethyl]oximino-acetyl]amino]-2-carbamoyl-4-keto-azetidine-1-sulfonic acid Formula: C20H21N7O11S2 MolecularWeight: 599.55104

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(=O)OCC1=CC=C(C=C1)[N+](=O)[O-])ON=C(C2=CSC(=N2)N)C(=O)NC3C(N(C3=O)S(=O)(=O)O)C(=O)N

Isomeric SMILES

CC(C)(C(=O)OCC1=CC=C(C=C1)[N+](=O)[O-])O/N=C(/C2=CSC(=N2)N)\C(=O)NC3C(N(C3=O)S(=O)(=O)O)C(=O)N

InChI

InChI=1S/C20H21N7O11S2/c1-20(2,18(31)37-7-9-3-5-10(6-4-9)27(32)33)38-25-12(11-8-39-19(22)23-11)16(29)24-13-14(15(21)28)26(17(13)30)40(34,35)36/h3-6,8,13-14H,7H2,1-2H3,(H2,21,28)(H2,22,23)(H,24,29)(H,34,35,36)/b25-12-