7-[[(2E)-2-(5-azanyl-1,2,4-thiadiazol-3-yl)-2-cyclohex-2-en-1-yloxyimino-ethanoyl]amino]-8-oxidanylidene-3-(1,2,4-thiadiazolidin-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-cyclohex-2-en-1-yloxyimino-ethanoyl]amino]-8-oxidanylidene-3-(1,2,4-thiadiazolidin-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-cyclohex-2-en-1-yloxyimino-acetyl]amino]-8-oxo-3-(1,2,4-thiadiazolidin-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)-2-(1-cyclohex-2-enyloxyimino)-1-oxoethyl]amino]-8-oxo-3-[(1,2,4-thiadiazolidin-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-cyclohex-2-en-1-yloxyiminoacetyl]amino]-8-oxo-3-(1,2,4-thiadiazolidin-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-cyclohex-2-en-1-yloximino-acetyl]amino]-8-keto-3-[(1,2,4-thiadiazolidin-2-ylthio)methyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C20H24N8O5S4 MolecularWeight: 584.71516

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Descriptors Computed from Structure

Canonical SMILES:

C1CC=CC(C1)ON=C(C2=NSC(=N2)N)C(=O)NC3C4N(C3=O)C(=C(CS4)CSN5CNCS5)C(=O)O

Isomeric SMILES

C1CC=CC(C1)O/N=C(\C2=NSC(=N2)N)/C(=O)NC3C4N(C3=O)C(=C(CS4)CSN5CNCS5)C(=O)O

InChI

InChI=1S/C20H24N8O5S4/c21-20-24-15(26-37-20)12(25-33-11-4-2-1-3-5-11)16(29)23-13-17(30)28-14(19(31)32)10(6-34-18(13)28)7-35-27-8-22-9-36-27/h2,4,11,13,18,22H,1,3,5-9H2,(H,23,29)(H,31,32)(H2,21,24,26)/b25-12+