7-[[2-(oxidanylamino)-2-(4-oxidanylidenecyclohexa-2,5-dien-1-ylidene)ethanoyl]amino]-8-oxidanylidene-3-(1,3,4-thiadiazol-2-ylsulfanylmethyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Systemtic Name: 7-[[2-(oxidanylamino)-2-(4-oxidanylidenecyclohexa-2,5-dien-1-ylidene)ethanoyl]amino]-8-oxidanylidene-3-(1,3,4-thiadiazol-2-ylsulfanylmethyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: 7-[[2-(hydroxyamino)-2-(4-oxocyclohexa-2,5-dien-1-ylidene)acetyl]amino]-8-oxo-3-(1,3,4-thiadiazol-2-ylsulfanylmethyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: 7-[[2-(hydroxyamino)-1-oxo-2-(4-oxo-1-cyclohexa-2,5-dienylidene)ethyl]amino]-8-oxo-3-[(1,3,4-thiadiazol-2-ylthio)methyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: 7-[[2-(hydroxyamino)-2-(4-oxocyclohexa-2,5-dien-1-ylidene)acetyl]amino]-8-oxo-3-(1,3,4-thiadiazol-2-ylsulfanylmethyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: 7-[[2-(hydroxyamino)-2-(4-ketocyclohexa-2,5-dien-1-ylidene)acetyl]amino]-8-keto-3-[(1,3,4-thiadiazol-2-ylthio)methyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C18H15N5O6S3 MolecularWeight: 493.5366

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=C(N2C(S1)C(C2=O)NC(=O)C(=C3C=CC(=O)C=C3)NO)C(=O)O)CSC4=NN=CS4

Isomeric SMILES

C1C(=C(N2C(S1)C(C2=O)NC(=O)C(=C3C=CC(=O)C=C3)NO)C(=O)O)CSC4=NN=CS4

InChI

InChI=1S/C18H15N5O6S3/c24-10-3-1-8(2-4-10)11(22-29)14(25)20-12-15(26)23-13(17(27)28)9(5-30-16(12)23)6-31-18-21-19-7-32-18/h1-4,7,12,16,22,29H,5-6H2,(H,20,25)(H,27,28)