sodium 7-[[(2E)-2-(2-azanyl-1,3-thiazol-4-yl)-2-methoxyimino-ethanoyl]amino]-3-[[3-ethoxycarbonyl-6,8-bis(fluoranyl)-7-(4-methylpiperazin-1-yl)-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-[[3-ethoxycarbonyl-6,8-bis(fluoranyl)-7-(4-methylpiperazin-1-yl)-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-[[3-ethoxycarbonyl-6,8-difluoro-7-(4-methylpiperazin-1-yl)-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-[[[3-ethoxycarbonyl-6,8-difluoro-7-(4-methyl-1-piperazinyl)-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-[[3-ethoxycarbonyl-6,8-difluoro-7-(4-methylpiperazin-1-yl)-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-[[[3-carbethoxy-6,8-difluoro-4-keto-7-(4-methylpiperazino)thiochromen-2-yl]thio]methyl]-8-keto-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Formula: C31H30F2N7NaO8S4 MolecularWeight: 817.858576

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C(C(=C(C=C2C1=O)F)N3CCN(CC3)C)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)N3CCN(CC3)C)F)SCC4=C(N5C(C(C5=O)NC(=O)/C(=N/OC)/C6=CSC(=N6)N)SC4)C(=O)[O-].[Na+]

InChI

InChI=1S/C31H31F2N7O8S4.Na/c1-4-48-29(46)17-23(41)14-9-15(32)22(39-7-5-38(2)6-8-39)18(33)24(14)52-30(17)50-11-13-10-49-27-20(26(43)40(27)21(13)28(44)45)36-25(42)19(37-47-3)16-12-51-31(34)35-16;/h9,12,20,27H,4-8,10-11H2,1-3H3,(H2,34,35)(H,36,42)(H,44,45);/q;+1/p-1/b37-19+;