7-azanyl-8-oxidanylidene-3-[(5-phenyl-1,2,3,4-tetrazol-2-yl)sulfanylmethyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Systemtic Name: 7-azanyl-8-oxidanylidene-3-[(5-phenyl-1,2,3,4-tetrazol-2-yl)sulfanylmethyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: 7-amino-8-oxo-3-[(5-phenyltetrazol-2-yl)sulfanylmethyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: 7-amino-8-oxo-3-[[(5-phenyl-2-tetrazolyl)thio]methyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: 7-amino-8-oxo-3-[(5-phenyltetrazol-2-yl)sulfanylmethyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: 7-amino-8-keto-3-[[(5-phenyltetrazol-2-yl)thio]methyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C15H14N6O3S2 MolecularWeight: 390.44006

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=C(N2C(S1)C(C2=O)N)C(=O)O)CSN3N=C(N=N3)C4=CC=CC=C4

Isomeric SMILES

C1C(=C(N2C(S1)C(C2=O)N)C(=O)O)CSN3N=C(N=N3)C4=CC=CC=C4

InChI

InChI=1S/C15H14N6O3S2/c16-10-13(22)20-11(15(23)24)9(6-25-14(10)20)7-26-21-18-12(17-19-21)8-4-2-1-3-5-8/h1-5,10,14H,6-7,16H2,(H,23,24)