7-[[(2E)-2-(2-azanyl-1,3-thiazol-4-yl)-2-[oxidanyl-(3-oxidanyl-4-oxidanylidene-3H-pyridin-6-yl)methoxy]imino-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-[[(2E)-2-(2-azanyl-1,3-thiazol-4-yl)-2-[oxidanyl-(3-oxidanyl-4-oxidanylidene-3H-pyridin-6-yl)methoxy]imino-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-[[(2E)-2-(2-aminothiazol-4-yl)-2-[hydroxy-(3-hydroxy-4-oxo-3H-pyridin-6-yl)methoxy]imino-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-[[(2E)-2-(2-amino-4-thiazolyl)-2-[hydroxy-(3-hydroxy-4-oxo-3H-pyridin-6-yl)methoxy]imino-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-[[(2E)-2-(2-amino-1,3-thiazol-4-yl)-2-[hydroxy-(3-hydroxy-4-oxo-3H-pyridin-6-yl)methoxy]iminoacetyl]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-[[(2E)-2-(2-aminothiazol-4-yl)-2-[hydroxy-(3-hydroxy-4-keto-3H-pyridin-6-yl)methyl]oximino-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: C21H20N10O8S3 MolecularWeight: 636.6407

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=N1)SCC2=C(N3C(C(C3=O)NC(=O)C(=NOC(C4=CC(=O)C(C=N4)O)O)C5=CSC(=N5)N)SC2)C(=O)O

Isomeric SMILES

CN1C(=NN=N1)SCC2=C(N3C(C(C3=O)NC(=O)/C(=N/OC(C4=CC(=O)C(C=N4)O)O)/C5=CSC(=N5)N)SC2)C(=O)O

InChI

InChI=1S/C21H20N10O8S3/c1-30-21(26-28-29-30)42-5-7-4-40-17-13(16(35)31(17)14(7)18(36)37)25-15(34)12(9-6-41-20(22)24-9)27-39-19(38)8-2-10(32)11(33)3-23-8/h2-3,6,11,13,17,19,33,38H,4-5H2,1H3,(H2,22,24)(H,25,34)(H,36,37)/b27-12+