sodium 7-[[(2E)-2-(2-azanyl-1,3-thiazol-4-yl)-2-hydroxyimino-ethanoyl]amino]-3-[(5-methyl-1,3,4-oxadiazol-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-hydroxyimino-ethanoyl]amino]-3-[(5-methyl-1,3,4-oxadiazol-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-hydroxyimino-acetyl]amino]-3-[(5-methyl-1,3,4-oxadiazol-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-hydroxyimino-1-oxoethyl]amino]-3-[[(5-methyl-1,3,4-oxadiazol-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-hydroxyiminoacetyl]amino]-3-[(5-methyl-1,3,4-oxadiazol-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-hydroximino-acetyl]amino]-8-keto-3-[[(5-methyl-1,3,4-oxadiazol-2-yl)thio]methyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Formula: C16H14N7NaO6S3 MolecularWeight: 519.51043

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(O1)SCC2=C(N3C(C(C3=O)NC(=O)C(=NO)C4=CSC(=N4)N)SC2)C(=O)[O-].[Na+]

Isomeric SMILES

CC1=NN=C(O1)SCC2=C(N3C(C(C3=O)NC(=O)/C(=N/O)/C4=CSC(=N4)N)SC2)C(=O)[O-].[Na+]

InChI

InChI=1S/C16H15N7O6S3.Na/c1-5-20-21-16(29-5)32-3-6-2-30-13-9(12(25)23(13)10(6)14(26)27)19-11(24)8(22-28)7-4-31-15(17)18-7;/h4,9,13,28H,2-3H2,1H3,(H2,17,18)(H,19,24)(H,26,27);/q;+1/p-1/b22-8+;