2-(acetyloxymethyl)-3-[[(2E)-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-(acetyloxymethyl)-3-[[(2E)-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: 2-(acetoxymethyl)-3-[[(2E)-2-(2-aminothiazol-4-yl)-2-[1,1-dimethyl-2-[(4-nitrophenyl)methoxy]-2-oxo-ethoxy]imino-acetyl]amino]-4-oxo-azetidine-1-sulfonic acid CAS Name: 2-(acetyloxymethyl)-3-[[(2E)-2-(2-amino-4-thiazolyl)-2-[2-methyl-1-[(4-nitrophenyl)methoxy]-1-oxopropan-2-yl]oxyimino-1-oxoethyl]amino]-4-oxo-1-azetidinesulfonic acid IUPAC Name: 2-(acetyloxymethyl)-3-[[(2E)-2-(2-amino-1,3-thiazol-4-yl)-2-[2-methyl-1-[(4-nitrophenyl)methoxy]-1-oxopropan-2-yl]oxyiminoacetyl]amino]-4-oxoazetidine-1-sulfonic acid Traditional Name: 2-(acetoxymethyl)-3-[[(2E)-2-(2-aminothiazol-4-yl)-2-[2-keto-1,1-dimethyl-2-(4-nitrobenzyl)oxy-ethyl]oximino-acetyl]amino]-4-keto-azetidine-1-sulfonic acid Formula: C22H24N6O12S2 MolecularWeight: 628.58896

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC1C(C(=O)N1S(=O)(=O)O)NC(=O)C(=NOC(C)(C)C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])C3=CSC(=N3)N

Isomeric SMILES

CC(=O)OCC1C(C(=O)N1S(=O)(=O)O)NC(=O)/C(=N/OC(C)(C)C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])/C3=CSC(=N3)N

InChI

InChI=1S/C22H24N6O12S2/c1-11(29)38-9-15-17(19(31)27(15)42(35,36)37)25-18(30)16(14-10-41-21(23)24-14)26-40-22(2,3)20(32)39-8-12-4-6-13(7-5-12)28(33)34/h4-7,10,15,17H,8-9H2,1-3H3,(H2,23,24)(H,25,30)(H,35,36,37)/b26-16+