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

Systemtic Name: 3-[[5-(acetamidomethyl)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-7-[[(2E)-2-(2-azanyl-1,3-thiazol-4-yl)-2-hydroxyimino-ethanoyl]amino]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: 3-[[5-(acetamidomethyl)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-7-[[(2E)-2-(2-aminothiazol-4-yl)-2-hydroxyimino-acetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: 3-[[[5-(acetamidomethyl)-1,3,4-thiadiazol-2-yl]thio]methyl]-7-[[(2E)-2-(2-amino-4-thiazolyl)-2-hydroxyimino-1-oxoethyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: 3-[[5-(acetamidomethyl)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-7-[[(2E)-2-(2-amino-1,3-thiazol-4-yl)-2-hydroxyiminoacetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: 3-[[[5-(acetamidomethyl)-1,3,4-thiadiazol-2-yl]thio]methyl]-7-[[(2E)-2-(2-aminothiazol-4-yl)-2-hydroximino-acetyl]amino]-8-keto-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C18H18N8O6S4 MolecularWeight: 570.64552

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCC1=NN=C(S1)SCC2=C(N3C(C(C3=O)NC(=O)C(=NO)C4=CSC(=N4)N)SC2)C(=O)O

Isomeric SMILES

CC(=O)NCC1=NN=C(S1)SCC2=C(N3C(C(C3=O)NC(=O)/C(=N/O)/C4=CSC(=N4)N)SC2)C(=O)O

InChI

InChI=1S/C18H18N8O6S4/c1-6(27)20-2-9-23-24-18(36-9)35-4-7-3-33-15-11(14(29)26(15)12(7)16(30)31)22-13(28)10(25-32)8-5-34-17(19)21-8/h5,11,15,32H,2-4H2,1H3,(H2,19,21)(H,20,27)(H,22,28)(H,30,31)/b25-10+