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

Systemtic Name: 3-[(1-methyl-1,2,3,4-tetrazol-5-yl)sulfanylmethyl]-6-[2-[(4-nitrophenyl)methoxycarbonyloxy]ethyl]-7-oxidanylidene-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Openeye Name: 3-[(1-methyltetrazol-5-yl)sulfanylmethyl]-6-[2-[(4-nitrophenyl)methoxycarbonyloxy]ethyl]-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid CAS Name: 3-[[(1-methyl-5-tetrazolyl)thio]methyl]-6-[2-[(4-nitrophenyl)methoxy-oxomethoxy]ethyl]-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid IUPAC Name: 3-[(1-methyltetrazol-5-yl)sulfanylmethyl]-6-[2-[(4-nitrophenyl)methoxycarbonyloxy]ethyl]-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Traditional Name: 7-keto-3-[[(1-methyltetrazol-5-yl)thio]methyl]-6-[2-(4-nitrobenzyl)oxycarbonyloxyethyl]-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Formula: C19H18N6O8S2 MolecularWeight: 522.51162

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=N1)SCC2=C(N3C(S2)C(C3=O)CCOC(=O)OCC4=CC=C(C=C4)[N+](=O)[O-])C(=O)O

Isomeric SMILES

CN1C(=NN=N1)SCC2=C(N3C(S2)C(C3=O)CCOC(=O)OCC4=CC=C(C=C4)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C19H18N6O8S2/c1-23-18(20-21-22-23)34-9-13-14(17(27)28)24-15(26)12(16(24)35-13)6-7-32-19(29)33-8-10-2-4-11(5-3-10)25(30)31/h2-5,12,16H,6-9H2,1H3,(H,27,28)