sodium 7-[[(2E)-2-(2-azanyl-1,3-thiazol-4-yl)-2-methoxyimino-ethanoyl]amino]-3-(2-methyl-6-oxidanylidene-pyran-4-yl)sulfanyl-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-(2-methyl-6-oxidanylidene-pyran-4-yl)sulfanyl-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-(2-methyl-6-oxo-pyran-4-yl)sulfanyl-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-[(2-methyl-6-oxo-4-pyranyl)thio]-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-(2-methyl-6-oxopyran-4-yl)sulfanyl-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-[(2-keto-6-methyl-pyran-4-yl)thio]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Formula: C19H16N5NaO7S3 MolecularWeight: 545.54441

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H17N5O7S3.Na/c1-7-3-8(4-11(25)31-7)34-10-6-32-17-13(16(27)24(17)14(10)18(28)29)22-15(26)12(23-30-2)9-5-33-19(20)21-9;/h3-5,13,17H,6H2,1-2H3,(H2,20,21)(H,22,26)(H,28,29);/q;+1/p-1/b23-12+;