(4-nitrophenyl)methyl 7-[[(2E)-2-(2-azanyl-5-chloranyl-1,3-thiazol-4-yl)-2-(triphenylmethyl)oxyimino-ethanoyl]sulfanylamino]-3-chloranyl-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Systemtic Name: (4-nitrophenyl)methyl 7-[[(2E)-2-(2-azanyl-5-chloranyl-1,3-thiazol-4-yl)-2-(triphenylmethyl)oxyimino-ethanoyl]sulfanylamino]-3-chloranyl-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Openeye Name: (4-nitrophenyl)methyl 7-[[(2E)-2-(2-amino-5-chloro-thiazol-4-yl)-2-trityloxyimino-acetyl]sulfanylamino]-3-chloro-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate CAS Name: 7-[[[(2E)-2-(2-amino-5-chloro-4-thiazolyl)-1-oxo-2-(triphenylmethyl)oxyiminoethyl]thio]amino]-3-chloro-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 7-[[(2E)-2-(2-amino-5-chloro-1,3-thiazol-4-yl)-2-trityloxyiminoacetyl]sulfanylamino]-3-chloro-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Traditional Name: 7-[[[(2E)-2-(2-amino-5-chloro-thiazol-4-yl)-2-trityloximino-acetyl]thio]amino]-3-chloro-8-keto-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid (4-nitrobenzyl) ester Formula: C38H28Cl2N6O7S3 MolecularWeight: 847.76592

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=C(N2C(S1)C(C2=O)NSC(=O)C(=NOC(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5)C6=C(SC(=N6)N)Cl)C(=O)OCC7=CC=C(C=C7)[N+](=O)[O-])Cl

Isomeric SMILES

C1C(=C(N2C(S1)C(C2=O)NSC(=O)/C(=N/OC(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5)/C6=C(SC(=N6)N)Cl)C(=O)OCC7=CC=C(C=C7)[N+](=O)[O-])Cl

InChI

InChI=1S/C38H28Cl2N6O7S3/c39-27-21-54-34-30(33(47)45(34)31(27)35(48)52-20-22-16-18-26(19-17-22)46(50)51)44-56-36(49)29(28-32(40)55-37(41)42-28)43-53-38(23-10-4-1-5-11-23,24-12-6-2-7-13-24)25-14-8-3-9-15-25/h1-19,30,34,44H,20-21H2,(H2,41,42)/b43-29+