sodium 7-[[(2E)-2-(2-azanyl-1,3-thiazol-4-yl)-2-methoxyimino-ethanoyl]amino]-3-[[8-bromanyl-6,7-bis(oxidanyl)-4-oxidanylidene-thiochromen-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-[[8-bromanyl-6,7-bis(oxidanyl)-4-oxidanylidene-thiochromen-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-[(8-bromo-6,7-dihydroxy-4-oxo-thiochromen-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-[[(8-bromo-6,7-dihydroxy-4-oxo-1-benzothiopyran-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-[(8-bromo-6,7-dihydroxy-4-oxothiochromen-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-[[(8-bromo-6,7-dihydroxy-4-keto-thiochromen-2-yl)thio]methyl]-8-keto-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Formula: C23H17BrN5NaO8S4 MolecularWeight: 722.56355

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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=CC(=O)C5=CC(=C(C(=C5S4)Br)O)O)C(=O)[O-].[Na+]

Isomeric SMILES

CO/N=C(\C1=CSC(=N1)N)/C(=O)NC2C3N(C2=O)C(=C(CS3)CSC4=CC(=O)C5=CC(=C(C(=C5S4)Br)O)O)C(=O)[O-].[Na+]

InChI

InChI=1S/C23H18BrN5O8S4.Na/c1-37-28-14(9-6-40-23(25)26-9)19(33)27-15-20(34)29-16(22(35)36)7(5-39-21(15)29)4-38-12-3-10(30)8-2-11(31)17(32)13(24)18(8)41-12;/h2-3,6,15,21,31-32H,4-5H2,1H3,(H2,25,26)(H,27,33)(H,35,36);/q;+1/p-1/b28-14+;