(4-nitrophenyl)methyl 6-(1-hydroxyethyl)-3-[(1-methyl-1,2,3,4-tetrazol-5-yl)sulfanylmethyl]-7-oxidanylidene-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate

Systemtic Name: (4-nitrophenyl)methyl 6-(1-hydroxyethyl)-3-[(1-methyl-1,2,3,4-tetrazol-5-yl)sulfanylmethyl]-7-oxidanylidene-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Openeye Name: (4-nitrophenyl)methyl 6-(1-hydroxyethyl)-3-[(1-methyltetrazol-5-yl)sulfanylmethyl]-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate CAS Name: 6-(1-hydroxyethyl)-3-[[(1-methyl-5-tetrazolyl)thio]methyl]-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 6-(1-hydroxyethyl)-3-[(1-methyltetrazol-5-yl)sulfanylmethyl]-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Traditional Name: 6-(1-hydroxyethyl)-7-keto-3-[[(1-methyltetrazol-5-yl)thio]methyl]-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid (4-nitrobenzyl) ester Formula: C18H18N6O6S2 MolecularWeight: 478.50212

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1C2N(C1=O)C(=C(S2)CSC3=NN=NN3C)C(=O)OCC4=CC=C(C=C4)[N+](=O)[O-])O

Isomeric SMILES

CC(C1C2N(C1=O)C(=C(S2)CSC3=NN=NN3C)C(=O)OCC4=CC=C(C=C4)[N+](=O)[O-])O

InChI

InChI=1S/C18H18N6O6S2/c1-9(25)13-15(26)23-14(12(32-16(13)23)8-31-18-19-20-21-22(18)2)17(27)30-7-10-3-5-11(6-4-10)24(28)29/h3-6,9,13,16,25H,7-8H2,1-2H3