6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3-[2-[(4-nitrophenyl)methoxycarbonylamino]ethylsulfanylmethyl]-7-oxidanylidene-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid

Systemtic Name: 6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3-[2-[(4-nitrophenyl)methoxycarbonylamino]ethylsulfanylmethyl]-7-oxidanylidene-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Openeye Name: 6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3-[2-[(4-nitrophenyl)methoxycarbonylamino]ethylsulfanylmethyl]-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid CAS Name: 6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3-[[2-[[(4-nitrophenyl)methoxy-oxomethyl]amino]ethylthio]methyl]-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid IUPAC Name: 6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3-[2-[(4-nitrophenyl)methoxycarbonylamino]ethylsulfanylmethyl]-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Traditional Name: 6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-7-keto-3-[[2-[(4-nitrobenzyl)oxycarbonylamino]ethylthio]methyl]-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Formula: C25H35N3O8S2Si MolecularWeight: 597.7762

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)[Si](C)(C)OCCC1C2N(C1=O)C(=C(S2)CSCCNC(=O)OCC3=CC=C(C=C3)[N+](=O)[O-])C(=O)O

Isomeric SMILES

CC(C)(C)[Si](C)(C)OCCC1C2N(C1=O)C(=C(S2)CSCCNC(=O)OCC3=CC=C(C=C3)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C25H35N3O8S2Si/c1-25(2,3)39(4,5)36-12-10-18-21(29)27-20(23(30)31)19(38-22(18)27)15-37-13-11-26-24(32)35-14-16-6-8-17(9-7-16)28(33)34/h6-9,18,22H,10-15H2,1-5H3,(H,26,32)(H,30,31)