sodium (6R,7R)-7-[[(2Z)-2-(2-azanyl-5-chloranyl-1,3-thiazol-4-yl)-2-hydroxyimino-ethanoyl]amino]-3-[(E)-2-(3-methoxy-1,2-thiazol-5-yl)ethenyl]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Systemtic Name: sodium (6R,7R)-7-[[(2Z)-2-(2-azanyl-5-chloranyl-1,3-thiazol-4-yl)-2-hydroxyimino-ethanoyl]amino]-3-[(E)-2-(3-methoxy-1,2-thiazol-5-yl)ethenyl]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Openeye Name: sodium (6R,7R)-7-[[(2Z)-2-(2-amino-5-chloro-thiazol-4-yl)-2-hydroxyimino-acetyl]amino]-3-[(E)-2-(3-methoxyisothiazol-5-yl)vinyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate CAS Name: sodium (6R,7R)-7-[[(2Z)-2-(2-amino-5-chloro-4-thiazolyl)-2-hydroxyimino-1-oxoethyl]amino]-3-[(E)-2-(3-methoxy-5-isothiazolyl)ethenyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate IUPAC Name: sodium (6R,7R)-7-[[(2Z)-2-(2-amino-5-chloro-1,3-thiazol-4-yl)-2-hydroxyiminoacetyl]amino]-3-[(E)-2-(3-methoxy-1,2-thiazol-5-yl)ethenyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Traditional Name: sodium (6R,7R)-7-[[(2Z)-2-(2-amino-5-chloro-thiazol-4-yl)-2-hydroximino-acetyl]amino]-8-keto-3-[(E)-2-(3-methoxyisothiazol-5-yl)vinyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Formula: C18H14ClN6NaO6S3 MolecularWeight: 564.97813

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=NSC(=C1)C=CC2=C(N3C(C(C3=O)NC(=O)C(=NO)C4=C(SC(=N4)N)Cl)SC2)C(=O)[O-].[Na+]

Isomeric SMILES

COC1=NSC(=C1)/C=C/C2=C(N3[C@@H]([C@@H](C3=O)NC(=O)/C(=N\O)/C4=C(SC(=N4)N)Cl)SC2)C(=O)[O-].[Na+]

InChI

InChI=1S/C18H15ClN6O6S3.Na/c1-31-8-4-7(34-24-8)3-2-6-5-32-16-11(15(27)25(16)12(6)17(28)29)21-14(26)10(23-30)9-13(19)33-18(20)22-9;/h2-4,11,16,30H,5H2,1H3,(H2,20,22)(H,21,26)(H,28,29);/q;+1/p-1/b3-2+,23-10-;/t11-,16-;/m1./s1