sodium 7-methoxy-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-8-oxidanylidene-7-[(3-oxidanyl-3-oxidanylidene-2-thiophen-3-yl-propanoyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Systemtic Name: sodium 7-methoxy-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-8-oxidanylidene-7-[(3-oxidanyl-3-oxidanylidene-2-thiophen-3-yl-propanoyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Openeye Name: sodium 7-[[3-hydroxy-3-oxo-2-(3-thienyl)propanoyl]amino]-7-methoxy-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate CAS Name: sodium 7-[[3-hydroxy-1,3-dioxo-2-(3-thiophenyl)propyl]amino]-7-methoxy-3-[[(5-methyl-1,3,4-thiadiazol-2-yl)thio]methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate IUPAC Name: sodium 7-[(3-hydroxy-3-oxo-2-thiophen-3-ylpropanoyl)amino]-7-methoxy-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Traditional Name: sodium 7-[[3-hydroxy-3-keto-2-(3-thienyl)propanoyl]amino]-8-keto-7-methoxy-3-[[(5-methyl-1,3,4-thiadiazol-2-yl)thio]methyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Formula: C19H17N4NaO7S4 MolecularWeight: 564.61065

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(S1)SCC2=C(N3C(C(C3=O)(NC(=O)C(C4=CSC=C4)C(=O)O)OC)SC2)C(=O)[O-].[Na+]

Isomeric SMILES

CC1=NN=C(S1)SCC2=C(N3C(C(C3=O)(NC(=O)C(C4=CSC=C4)C(=O)O)OC)SC2)C(=O)[O-].[Na+]

InChI

InChI=1S/C19H18N4O7S4.Na/c1-8-21-22-18(34-8)33-7-10-6-32-17-19(30-2,16(29)23(17)12(10)15(27)28)20-13(24)11(14(25)26)9-3-4-31-5-9;/h3-5,11,17H,6-7H2,1-2H3,(H,20,24)(H,25,26)(H,27,28);/q;+1/p-1