(4-nitrophenyl)methyl 3-(5-cyano-7-methylsulfanyl-imidazo[5,1-b][1,3]thiazol-2-yl)-6-(1-hydroxyethyl)-7-oxidanylidene-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate

Systemtic Name: (4-nitrophenyl)methyl 3-(5-cyano-7-methylsulfanyl-imidazo[5,1-b][1,3]thiazol-2-yl)-6-(1-hydroxyethyl)-7-oxidanylidene-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Openeye Name: (4-nitrophenyl)methyl 3-(5-cyano-7-methylsulfanyl-imidazo[5,1-b]thiazol-2-yl)-6-(1-hydroxyethyl)-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate CAS Name: 3-[5-cyano-7-(methylthio)-2-imidazo[5,1-b]thiazolyl]-6-(1-hydroxyethyl)-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 3-(5-cyano-7-methylsulfanylimidazo[5,1-b][1,3]thiazol-2-yl)-6-(1-hydroxyethyl)-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Traditional Name: 3-[5-cyano-7-(methylthio)imidazo[5,1-b]thiazol-2-yl]-6-(1-hydroxyethyl)-7-keto-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid (4-nitrobenzyl) ester Formula: C23H19N5O6S2 MolecularWeight: 525.55686

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1C2CC(=C(N2C1=O)C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-])C4=CN5C(=NC(=C5S4)SC)C#N)O

Isomeric SMILES

CC(C1C2CC(=C(N2C1=O)C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-])C4=CN5C(=NC(=C5S4)SC)C#N)O

InChI

InChI=1S/C23H19N5O6S2/c1-11(29)18-15-7-14(16-9-26-17(8-24)25-20(35-2)22(26)36-16)19(27(15)21(18)30)23(31)34-10-12-3-5-13(6-4-12)28(32)33/h3-6,9,11,15,18,29H,7,10H2,1-2H3