(4-nitrophenyl)methyl 3-ethylsulfanyl-7-oxidanylidene-6-(2-phenylmethoxycarbonyloxyethyl)-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate

Systemtic Name: (4-nitrophenyl)methyl 3-ethylsulfanyl-7-oxidanylidene-6-(2-phenylmethoxycarbonyloxyethyl)-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Openeye Name: (4-nitrophenyl)methyl 6-(2-benzyloxycarbonyloxyethyl)-3-ethylsulfanyl-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate CAS Name: 3-(ethylthio)-7-oxo-6-(2-phenylmethoxycarbonyloxyethyl)-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 3-ethylsulfanyl-7-oxo-6-(2-phenylmethoxycarbonyloxyethyl)-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Traditional Name: 6-(2-carbobenzoxyoxyethyl)-3-(ethylthio)-7-keto-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid (4-nitrobenzyl) ester Formula: C25H24N2O8S2 MolecularWeight: 544.59666

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=C(N2C(S1)C(C2=O)CCOC(=O)OCC3=CC=CC=C3)C(=O)OCC4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CCSC1=C(N2C(S1)C(C2=O)CCOC(=O)OCC3=CC=CC=C3)C(=O)OCC4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C25H24N2O8S2/c1-2-36-24-20(23(29)34-14-17-8-10-18(11-9-17)27(31)32)26-21(28)19(22(26)37-24)12-13-33-25(30)35-15-16-6-4-3-5-7-16/h3-11,19,22H,2,12-15H2,1H3