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

Systemtic Name: 3-[(1-methyl-1,2,3,4-tetrazol-5-yl)sulfanylmethyl]-8-oxidanylidene-7-[[2-[(3-oxidanylidene-1,2-oxazolidin-2-yl)carbonylamino]-2-phenyl-ethanoyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: 3-[(1-methyltetrazol-5-yl)sulfanylmethyl]-8-oxo-7-[[2-[(3-oxoisoxazolidine-2-carbonyl)amino]-2-phenyl-acetyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: 3-[[(1-methyl-5-tetrazolyl)thio]methyl]-8-oxo-7-[[1-oxo-2-[[oxo-(3-oxo-2-isoxazolidinyl)methyl]amino]-2-phenylethyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: 3-[(1-methyltetrazol-5-yl)sulfanylmethyl]-8-oxo-7-[[2-[(3-oxo-1,2-oxazolidine-2-carbonyl)amino]-2-phenylacetyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: 8-keto-7-[[2-[(3-ketoisoxazolidine-2-carbonyl)amino]-2-phenyl-acetyl]amino]-3-[[(1-methyltetrazol-5-yl)thio]methyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C22H22N8O7S2 MolecularWeight: 574.58948

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=N1)SCC2=C(N3C(C(C3=O)NC(=O)C(C4=CC=CC=C4)NC(=O)N5C(=O)CCO5)SC2)C(=O)O

Isomeric SMILES

CN1C(=NN=N1)SCC2=C(N3C(C(C3=O)NC(=O)C(C4=CC=CC=C4)NC(=O)N5C(=O)CCO5)SC2)C(=O)O

InChI

InChI=1S/C22H22N8O7S2/c1-28-22(25-26-27-28)39-10-12-9-38-19-15(18(33)29(19)16(12)20(34)35)23-17(32)14(11-5-3-2-4-6-11)24-21(36)30-13(31)7-8-37-30/h2-6,14-15,19H,7-10H2,1H3,(H,23,32)(H,24,36)(H,34,35)