sodium 7-[[(2E)-2-(2-azanyl-1,3-thiazol-4-yl)-2-hydroxyimino-ethanoyl]amino]-3-[(E)-[1-[[1-[(4-carboxyphenyl)methyl]pyridin-1-ium-4-yl]methyl]-2-oxidanylidene-pyrrolidin-3-ylidene]methyl]-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-[(E)-[1-[[1-[(4-carboxyphenyl)methyl]pyridin-1-ium-4-yl]methyl]-2-oxidanylidene-pyrrolidin-3-ylidene]methyl]-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-[(E)-[1-[[1-[(4-carboxyphenyl)methyl]pyridin-1-ium-4-yl]methyl]-2-oxo-pyrrolidin-3-ylidene]methyl]-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-[(E)-[1-[[1-[(4-carboxyphenyl)methyl]-4-pyridin-1-iumyl]methyl]-2-oxo-3-pyrrolidinylidene]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-[(E)-[1-[[1-[(4-carboxyphenyl)methyl]pyridin-1-ium-4-yl]methyl]-2-oxopyrrolidin-3-ylidene]methyl]-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]-3-[(E)-[1-[[1-(4-carboxybenzyl)pyridin-1-ium-4-yl]methyl]-2-keto-pyrrolidin-3-ylidene]methyl]-8-keto-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Formula: C31H27N7NaO8S2+ MolecularWeight: 712.70795

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(=O)C1=CC2=C(N3C(C(C3=O)NC(=O)C(=NO)C4=CSC(=N4)N)SC2)C(=O)[O-])CC5=CC=[N+](C=C5)CC6=CC=C(C=C6)C(=O)O.[Na+]

Isomeric SMILES

C\1CN(C(=O)/C1=C/C2=C(N3C(C(C3=O)NC(=O)/C(=N/O)/C4=CSC(=N4)N)SC2)C(=O)[O-])CC5=CC=[N+](C=C5)CC6=CC=C(C=C6)C(=O)O.[Na+]

InChI

InChI=1S/C31H27N7O8S2.Na/c32-31-33-21(15-48-31)22(35-46)25(39)34-23-27(41)38-24(30(44)45)20(14-47-28(23)38)11-19-7-10-37(26(19)40)13-17-5-8-36(9-6-17)12-16-1-3-18(4-2-16)29(42)43;/h1-6,8-9,11,15,23,28H,7,10,12-14H2,(H5-,32,33,34,39,42,43,44,45,46);/q;+1/b19-11+;