7-[[(2E)-2-(5-azanyl-1,2,4-thiadiazol-3-yl)-2-phenylmethoxyimino-ethanoyl]amino]-8-oxidanylidene-4-(1,3,4-thiadiazol-2-ylsulfanylmethyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Systemtic Name: 7-[[(2E)-2-(5-azanyl-1,2,4-thiadiazol-3-yl)-2-phenylmethoxyimino-ethanoyl]amino]-8-oxidanylidene-4-(1,3,4-thiadiazol-2-ylsulfanylmethyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: 7-[[(2E)-2-(5-amino-1,2,4-thiadiazol-3-yl)-2-benzyloxyimino-acetyl]amino]-8-oxo-4-(1,3,4-thiadiazol-2-ylsulfanylmethyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: 7-[[(2E)-2-(5-amino-1,2,4-thiadiazol-3-yl)-1-oxo-2-phenylmethoxyiminoethyl]amino]-8-oxo-4-[(1,3,4-thiadiazol-2-ylthio)methyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: 7-[[(2E)-2-(5-amino-1,2,4-thiadiazol-3-yl)-2-phenylmethoxyiminoacetyl]amino]-8-oxo-4-(1,3,4-thiadiazol-2-ylsulfanylmethyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: 7-[[(2E)-2-(5-amino-1,2,4-thiadiazol-3-yl)-2-benzyloximino-acetyl]amino]-8-keto-4-[(1,3,4-thiadiazol-2-ylthio)methyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C21H18N8O5S4 MolecularWeight: 590.67822

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CON=C(C2=NSC(=N2)N)C(=O)NC3C4N(C3=O)C(=CC(S4)CSC5=NN=CS5)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CO/N=C(\C2=NSC(=N2)N)/C(=O)NC3C4N(C3=O)C(=CC(S4)CSC5=NN=CS5)C(=O)O

InChI

InChI=1S/C21H18N8O5S4/c22-20-25-15(28-38-20)13(27-34-7-10-4-2-1-3-5-10)16(30)24-14-17(31)29-12(19(32)33)6-11(37-18(14)29)8-35-21-26-23-9-36-21/h1-6,9,11,14,18H,7-8H2,(H,24,30)(H,32,33)(H2,22,25,28)/b27-13+