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

Systemtic Name: 7-methoxy-7-[[2-(3-methoxy-4-oxidanyl-phenyl)-3-oxidanyl-3-oxidanylidene-propanoyl]amino]-3-[(1-methyl-1,2,3,4-tetrazol-5-yl)sulfanylmethyl]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: 7-[[3-hydroxy-2-(4-hydroxy-3-methoxy-phenyl)-3-oxo-propanoyl]amino]-7-methoxy-3-[(1-methyltetrazol-5-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: 7-[[3-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-1,3-dioxopropyl]amino]-7-methoxy-3-[[(1-methyl-5-tetrazolyl)thio]methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: 7-[[3-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-3-oxopropanoyl]amino]-7-methoxy-3-[(1-methyltetrazol-5-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: 7-[[3-hydroxy-2-(4-hydroxy-3-methoxy-phenyl)-3-keto-propanoyl]amino]-8-keto-7-methoxy-3-[[(1-methyltetrazol-5-yl)thio]methyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C21H22N6O9S2 MolecularWeight: 566.56418

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=N1)SCC2=C(N3C(C(C3=O)(NC(=O)C(C4=CC(=C(C=C4)O)OC)C(=O)O)OC)SC2)C(=O)O

Isomeric SMILES

CN1C(=NN=N1)SCC2=C(N3C(C(C3=O)(NC(=O)C(C4=CC(=C(C=C4)O)OC)C(=O)O)OC)SC2)C(=O)O

InChI

InChI=1S/C21H22N6O9S2/c1-26-20(23-24-25-26)38-8-10-7-37-19-21(36-3,18(34)27(19)14(10)17(32)33)22-15(29)13(16(30)31)9-4-5-11(28)12(6-9)35-2/h4-6,13,19,28H,7-8H2,1-3H3,(H,22,29)(H,30,31)(H,32,33)