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

Systemtic Name: 3-[[(2Z)-2-[2-(2-chloranylethanoylamino)-1,3-thiazol-4-yl]-2-[2-methyl-1-[(4-nitrophenyl)methoxy]-1-oxidanylidene-propan-2-yl]oxyimino-ethanoyl]amino]-2-methoxycarbonyl-4-oxidanylidene-azetidine-1-sulfonic acid Openeye Name: 3-[[(2Z)-2-[2-[(2-chloroacetyl)amino]thiazol-4-yl]-2-[1,1-dimethyl-2-[(4-nitrophenyl)methoxy]-2-oxo-ethoxy]imino-acetyl]amino]-2-methoxycarbonyl-4-oxo-azetidine-1-sulfonic acid CAS Name: 3-[[(2Z)-2-[2-[(2-chloro-1-oxoethyl)amino]-4-thiazolyl]-2-[2-methyl-1-[(4-nitrophenyl)methoxy]-1-oxopropan-2-yl]oxyimino-1-oxoethyl]amino]-2-methoxycarbonyl-4-oxo-1-azetidinesulfonic acid IUPAC Name: 3-[[(2Z)-2-[2-[(2-chloroacetyl)amino]-1,3-thiazol-4-yl]-2-[2-methyl-1-[(4-nitrophenyl)methoxy]-1-oxopropan-2-yl]oxyiminoacetyl]amino]-2-methoxycarbonyl-4-oxoazetidine-1-sulfonic acid Traditional Name: 2-carbomethoxy-3-[[(2Z)-2-[2-[(2-chloroacetyl)amino]thiazol-4-yl]-2-[2-keto-1,1-dimethyl-2-(4-nitrobenzyl)oxy-ethyl]oximino-acetyl]amino]-4-keto-azetidine-1-sulfonic acid Formula: C23H23ClN6O13S2 MolecularWeight: 691.04412

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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)NC(=O)CCl)C(=O)NC3C(N(C3=O)S(=O)(=O)O)C(=O)OC

Isomeric SMILES

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

InChI

InChI=1S/C23H23ClN6O13S2/c1-23(2,21(35)42-9-11-4-6-12(7-5-11)30(36)37)43-28-15(13-10-44-22(25-13)26-14(31)8-24)18(32)27-16-17(20(34)41-3)29(19(16)33)45(38,39)40/h4-7,10,16-17H,8-9H2,1-3H3,(H,27,32)(H,25,26,31)(H,38,39,40)/b28-15-