(4-nitrophenyl)methyl 3-chloranyl-7-[[(2E)-2-[2-[(2-methylpropan-2-yl)oxy]-2-oxidanylidene-ethoxy]imino-2-(1,2,4-thiadiazol-3-yl)ethanoyl]amino]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Systemtic Name: (4-nitrophenyl)methyl 3-chloranyl-7-[[(2E)-2-[2-[(2-methylpropan-2-yl)oxy]-2-oxidanylidene-ethoxy]imino-2-(1,2,4-thiadiazol-3-yl)ethanoyl]amino]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Openeye Name: (4-nitrophenyl)methyl 7-[[(2E)-2-(2-tert-butoxy-2-oxo-ethoxy)imino-2-(1,2,4-thiadiazol-3-yl)acetyl]amino]-3-chloro-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate CAS Name: 3-chloro-7-[[(2E)-2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]imino-1-oxo-2-(1,2,4-thiadiazol-3-yl)ethyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 3-chloro-7-[[(2E)-2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]imino-2-(1,2,4-thiadiazol-3-yl)acetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Traditional Name: 7-[[(2E)-2-(2-tert-butoxy-2-keto-ethyl)oximino-2-(1,2,4-thiadiazol-3-yl)acetyl]amino]-3-chloro-8-keto-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid (4-nitrobenzyl) ester Formula: C24H23ClN6O9S2 MolecularWeight: 639.05722

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CON=C(C1=NSC=N1)C(=O)NC2C3N(C2=O)C(=C(CS3)Cl)C(=O)OCC4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)OC(=O)CO/N=C(\C1=NSC=N1)/C(=O)NC2C3N(C2=O)C(=C(CS3)Cl)C(=O)OCC4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C24H23ClN6O9S2/c1-24(2,3)40-15(32)9-39-28-16(19-26-11-42-29-19)20(33)27-17-21(34)30-18(14(25)10-41-22(17)30)23(35)38-8-12-4-6-13(7-5-12)31(36)37/h4-7,11,17,22H,8-10H2,1-3H3,(H,27,33)/b28-16+