sodium 7-[[(2E)-2-(2-azanyl-1,3-thiazol-4-yl)-2-methoxyimino-ethanoyl]amino]-3-[[5,6-bis(oxidanyl)-1,3-benzoxazol-2-yl]sulfanylmethyl]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Systemtic Name: sodium 7-[[(2E)-2-(2-azanyl-1,3-thiazol-4-yl)-2-methoxyimino-ethanoyl]amino]-3-[[5,6-bis(oxidanyl)-1,3-benzoxazol-2-yl]sulfanylmethyl]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Openeye Name: sodium 7-[[(2E)-2-(2-aminothiazol-4-yl)-2-methoxyimino-acetyl]amino]-3-[(5,6-dihydroxy-1,3-benzoxazol-2-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate CAS Name: sodium 7-[[(2E)-2-(2-amino-4-thiazolyl)-2-methoxyimino-1-oxoethyl]amino]-3-[[(5,6-dihydroxy-1,3-benzoxazol-2-yl)thio]methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate IUPAC Name: sodium 7-[[(2E)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-3-[(5,6-dihydroxy-1,3-benzoxazol-2-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Traditional Name: sodium 7-[[(2E)-2-(2-aminothiazol-4-yl)-2-methyloximino-acetyl]amino]-3-[[(5,6-dihydroxy-1,3-benzoxazol-2-yl)thio]methyl]-8-keto-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Formula: C21H17N6NaO8S3 MolecularWeight: 600.57985

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Descriptors Computed from Structure

Canonical SMILES:

CON=C(C1=CSC(=N1)N)C(=O)NC2C3N(C2=O)C(=C(CS3)CSC4=NC5=CC(=C(C=C5O4)O)O)C(=O)[O-].[Na+]

Isomeric SMILES

CO/N=C(\C1=CSC(=N1)N)/C(=O)NC2C3N(C2=O)C(=C(CS3)CSC4=NC5=CC(=C(C=C5O4)O)O)C(=O)[O-].[Na+]

InChI

InChI=1S/C21H18N6O8S3.Na/c1-34-26-13(9-6-37-20(22)23-9)16(30)25-14-17(31)27-15(19(32)33)7(4-36-18(14)27)5-38-21-24-8-2-10(28)11(29)3-12(8)35-21;/h2-3,6,14,18,28-29H,4-5H2,1H3,(H2,22,23)(H,25,30)(H,32,33);/q;+1/p-1/b26-13+;