(4-nitrophenyl)methyl 8-oxidanylidene-3-phenylsulfanyl-7-(2-thiophen-2-ylethanoylamino)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Systemtic Name: (4-nitrophenyl)methyl 8-oxidanylidene-3-phenylsulfanyl-7-(2-thiophen-2-ylethanoylamino)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Openeye Name: (4-nitrophenyl)methyl 8-oxo-3-phenylsulfanyl-7-[[2-(2-thienyl)acetyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate CAS Name: 8-oxo-7-[(1-oxo-2-thiophen-2-ylethyl)amino]-3-(phenylthio)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 8-oxo-3-phenylsulfanyl-7-[(2-thiophen-2-ylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Traditional Name: 8-keto-3-(phenylthio)-7-[[2-(2-thienyl)acetyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid (4-nitrobenzyl) ester Formula: C26H21N3O6S3 MolecularWeight: 567.65644

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C(=C(N2C(S1)C(C2=O)NC(=O)CC3=CC=CS3)C(=O)OCC4=CC=C(C=C4)[N+](=O)[O-])SC5=CC=CC=C5

Isomeric SMILES

C1C(=C(N2C(S1)C(C2=O)NC(=O)CC3=CC=CS3)C(=O)OCC4=CC=C(C=C4)[N+](=O)[O-])SC5=CC=CC=C5

InChI

InChI=1S/C26H21N3O6S3/c30-21(13-19-7-4-12-36-19)27-22-24(31)28-23(20(15-37-25(22)28)38-18-5-2-1-3-6-18)26(32)35-14-16-8-10-17(11-9-16)29(33)34/h1-12,22,25H,13-15H2,(H,27,30)