7-[[2-(2-azanyl-1,3-thiazol-4-yl)-2-(2-carboxy-5-chloranyl-phenyl)sulfanyl-ethanoyl]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-[[2-(2-azanyl-1,3-thiazol-4-yl)-2-(2-carboxy-5-chloranyl-phenyl)sulfanyl-ethanoyl]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-[[2-(2-aminothiazol-4-yl)-2-(2-carboxy-5-chloro-phenyl)sulfanyl-acetyl]amino]-3-[(1-methyltetrazol-5-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: 7-[[2-(2-amino-4-thiazolyl)-2-[(2-carboxy-5-chlorophenyl)thio]-1-oxoethyl]amino]-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-[[2-(2-amino-1,3-thiazol-4-yl)-2-(2-carboxy-5-chlorophenyl)sulfanylacetyl]amino]-3-[(1-methyltetrazol-5-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: 7-[[2-(2-aminothiazol-4-yl)-2-[(2-carboxy-5-chloro-phenyl)thio]acetyl]amino]-8-keto-3-[[(1-methyltetrazol-5-yl)thio]methyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C22H19ClN8O6S4 MolecularWeight: 655.14926

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=N1)SCC2=C(N3C(C(C3=O)NC(=O)C(C4=CSC(=N4)N)SC5=C(C=CC(=C5)Cl)C(=O)O)SC2)C(=O)O

Isomeric SMILES

CN1C(=NN=N1)SCC2=C(N3C(C(C3=O)NC(=O)C(C4=CSC(=N4)N)SC5=C(C=CC(=C5)Cl)C(=O)O)SC2)C(=O)O

InChI

InChI=1S/C22H19ClN8O6S4/c1-30-22(27-28-29-30)40-6-8-5-38-18-13(17(33)31(18)14(8)20(36)37)26-16(32)15(11-7-39-21(24)25-11)41-12-4-9(23)2-3-10(12)19(34)35/h2-4,7,13,15,18H,5-6H2,1H3,(H2,24,25)(H,26,32)(H,34,35)(H,36,37)