sodium 7-[[(2E)-2-(2-azanyl-1,3-thiazol-4-yl)-2-methoxyimino-ethanoyl]amino]-3-[(4-cyanophenyl)methoxy]-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-[(4-cyanophenyl)methoxy]-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-[(4-cyanophenyl)methoxy]-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-[(4-cyanophenyl)methoxy]-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-[(4-cyanophenyl)methoxy]-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-(4-cyanobenzyl)oxy-8-keto-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Formula: C21H17N6NaO6S2 MolecularWeight: 536.51605

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Descriptors Computed from Structure

Canonical SMILES:

CON=C(C1=CSC(=N1)N)C(=O)NC2C3N(C2=O)C(=C(CS3)OCC4=CC=C(C=C4)C#N)C(=O)[O-].[Na+]

Isomeric SMILES

CO/N=C(\C1=CSC(=N1)N)/C(=O)NC2C3N(C2=O)C(=C(CS3)OCC4=CC=C(C=C4)C#N)C(=O)[O-].[Na+]

InChI

InChI=1S/C21H18N6O6S2.Na/c1-32-26-14(12-8-35-21(23)24-12)17(28)25-15-18(29)27-16(20(30)31)13(9-34-19(15)27)33-7-11-4-2-10(6-22)3-5-11;/h2-5,8,15,19H,7,9H2,1H3,(H2,23,24)(H,25,28)(H,30,31);/q;+1/p-1/b26-14+;