sodium 7-[[(2E)-2-(2-azanyl-1,3-thiazol-4-yl)-2-methoxyimino-ethanoyl]amino]-3-[(6,7-dimethoxy-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-[(6,7-dimethoxy-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-[(6,7-dimethoxy-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-[[(6,7-dimethoxy-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-[(6,7-dimethoxy-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]-8-keto-3-[[(4-keto-6,7-dimethoxy-thiochromen-2-yl)thio]methyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Formula: C25H22N5NaO8S4 MolecularWeight: 671.72065

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=O)C=C(S2)SCC3=C(N4C(C(C4=O)NC(=O)C(=NOC)C5=CSC(=N5)N)SC3)C(=O)[O-])OC.[Na+]

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=O)C=C(S2)SCC3=C(N4C(C(C4=O)NC(=O)/C(=N/OC)/C5=CSC(=N5)N)SC3)C(=O)[O-])OC.[Na+]

InChI

InChI=1S/C25H23N5O8S4.Na/c1-36-14-4-11-13(31)5-17(42-16(11)6-15(14)37-2)39-7-10-8-40-23-19(22(33)30(23)20(10)24(34)35)28-21(32)18(29-38-3)12-9-41-25(26)27-12;/h4-6,9,19,23H,7-8H2,1-3H3,(H2,26,27)(H,28,32)(H,34,35);/q;+1/p-1/b29-18+;