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

Systemtic Name: (4-nitrophenyl)methyl 3-azanyl-8-oxidanylidene-4-phenylsulfanyl-7-(2-thiophen-2-ylethanoylamino)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Openeye Name: (4-nitrophenyl)methyl 3-amino-8-oxo-4-phenylsulfanyl-7-[[2-(2-thienyl)acetyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate CAS Name: 3-amino-8-oxo-7-[(1-oxo-2-thiophen-2-ylethyl)amino]-4-(phenylthio)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 3-amino-8-oxo-4-phenylsulfanyl-7-[(2-thiophen-2-ylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Traditional Name: 3-amino-8-keto-4-(phenylthio)-7-[[2-(2-thienyl)acetyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid (4-nitrobenzyl) ester Formula: C26H22N4O6S3 MolecularWeight: 582.67108

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SC2C(=C(N3C(S2)C(C3=O)NC(=O)CC4=CC=CS4)C(=O)OCC5=CC=C(C=C5)[N+](=O)[O-])N

Isomeric SMILES

C1=CC=C(C=C1)SC2C(=C(N3C(S2)C(C3=O)NC(=O)CC4=CC=CS4)C(=O)OCC5=CC=C(C=C5)[N+](=O)[O-])N

InChI

InChI=1S/C26H22N4O6S3/c27-20-22(25(33)36-14-15-8-10-16(11-9-15)30(34)35)29-23(32)21(28-19(31)13-18-7-4-12-37-18)24(29)39-26(20)38-17-5-2-1-3-6-17/h1-12,21,24,26H,13-14,27H2,(H,28,31)