(4-nitrophenyl)methyl 3-azanyl-4-ethoxy-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-azanyl-4-ethoxy-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-amino-4-ethoxy-8-oxo-7-[[2-(2-thienyl)acetyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate CAS Name: 3-amino-4-ethoxy-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-amino-4-ethoxy-8-oxo-7-[(2-thiophen-2-ylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Traditional Name: 3-amino-4-ethoxy-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: C22H22N4O7S2 MolecularWeight: 518.56268

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1C(=C(N2C(S1)C(C2=O)NC(=O)CC3=CC=CS3)C(=O)OCC4=CC=C(C=C4)[N+](=O)[O-])N

Isomeric SMILES

CCOC1C(=C(N2C(S1)C(C2=O)NC(=O)CC3=CC=CS3)C(=O)OCC4=CC=C(C=C4)[N+](=O)[O-])N

InChI

InChI=1S/C22H22N4O7S2/c1-2-32-22-16(23)18(21(29)33-11-12-5-7-13(8-6-12)26(30)31)25-19(28)17(20(25)35-22)24-15(27)10-14-4-3-9-34-14/h3-9,17,20,22H,2,10-11,23H2,1H3,(H,24,27)