sodium 7-[[(2E)-2-(2-azanyl-1,3-thiazol-4-yl)-2-methoxyimino-ethanoyl]amino]-3-[[3-ethoxycarbonyl-6,8-bis(fluoranyl)-4-oxidanylidene-7-pyrrolidin-1-yl-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-[[3-ethoxycarbonyl-6,8-bis(fluoranyl)-4-oxidanylidene-7-pyrrolidin-1-yl-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-[(3-ethoxycarbonyl-6,8-difluoro-4-oxo-7-pyrrolidin-1-yl-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-[[[3-ethoxycarbonyl-6,8-difluoro-4-oxo-7-(1-pyrrolidinyl)-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-[(3-ethoxycarbonyl-6,8-difluoro-4-oxo-7-pyrrolidin-1-ylthiochromen-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-[[(3-carbethoxy-6,8-difluoro-4-keto-7-pyrrolidino-thiochromen-2-yl)thio]methyl]-8-keto-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Formula: C30H27F2N6NaO8S4 MolecularWeight: 788.817356

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C(C(=C(C=C2C1=O)F)N3CCCC3)F)SCC4=C(N5C(C(C5=O)NC(=O)C(=NOC)C6=CSC(=N6)N)SC4)C(=O)[O-].[Na+]

Isomeric SMILES

CCOC(=O)C1=C(SC2=C(C(=C(C=C2C1=O)F)N3CCCC3)F)SCC4=C(N5C(C(C5=O)NC(=O)/C(=N/OC)/C6=CSC(=N6)N)SC4)C(=O)[O-].[Na+]

InChI

InChI=1S/C30H28F2N6O8S4.Na/c1-3-46-28(44)16-22(39)13-8-14(31)21(37-6-4-5-7-37)17(32)23(13)50-29(16)48-10-12-9-47-26-19(25(41)38(26)20(12)27(42)43)35-24(40)18(36-45-2)15-11-49-30(33)34-15;/h8,11,19,26H,3-7,9-10H2,1-2H3,(H2,33,34)(H,35,40)(H,42,43);/q;+1/p-1/b36-18+;