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

Systemtic Name: (4-nitrophenyl)methyl 3-ethylsulfonyloxy-8-oxidanylidene-7-(2-thiophen-2-ylethanoylamino)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Openeye Name: (4-nitrophenyl)methyl 3-ethylsulfonyloxy-8-oxo-7-[[2-(2-thienyl)acetyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate CAS Name: 3-ethylsulfonyloxy-8-oxo-7-[(1-oxo-2-thiophen-2-ylethyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 3-ethylsulfonyloxy-8-oxo-7-[(2-thiophen-2-ylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Traditional Name: 3-esyloxy-8-keto-7-[[2-(2-thienyl)acetyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid (4-nitrobenzyl) ester Formula: C22H21N3O9S3 MolecularWeight: 567.61184

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)OC1=C(N2C(C(C2=O)NC(=O)CC3=CC=CS3)SC1)C(=O)OCC4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CCS(=O)(=O)OC1=C(N2C(C(C2=O)NC(=O)CC3=CC=CS3)SC1)C(=O)OCC4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C22H21N3O9S3/c1-2-37(31,32)34-16-12-36-21-18(23-17(26)10-15-4-3-9-35-15)20(27)24(21)19(16)22(28)33-11-13-5-7-14(8-6-13)25(29)30/h3-9,18,21H,2,10-12H2,1H3,(H,23,26)