(6R,7R)-7-[[(2Z)-2-(2-azanyl-1,3-thiazol-4-yl)-2-hydroxyimino-ethanoyl]amino]-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethylsulfanyl]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Systemtic Name: (6R,7R)-7-[[(2Z)-2-(2-azanyl-1,3-thiazol-4-yl)-2-hydroxyimino-ethanoyl]amino]-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethylsulfanyl]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: (6R,7R)-7-[[(2Z)-2-(2-aminothiazol-4-yl)-2-hydroxyimino-acetyl]amino]-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethylsulfanyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: (6R,7R)-7-[[(2Z)-2-(2-amino-4-thiazolyl)-2-hydroxyimino-1-oxoethyl]amino]-3-[[(5-methyl-1,3,4-thiadiazol-2-yl)thio]methylthio]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: (6R,7R)-7-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-hydroxyiminoacetyl]amino]-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethylsulfanyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: (6R,7R)-7-[[(2Z)-2-(2-aminothiazol-4-yl)-2-hydroximino-acetyl]amino]-8-keto-3-[[(5-methyl-1,3,4-thiadiazol-2-yl)thio]methylthio]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C16H15N7O5S5 MolecularWeight: 545.6592

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(S1)SCSC2=C(N3C(C(C3=O)NC(=O)C(=NO)C4=CSC(=N4)N)SC2)C(=O)O

Isomeric SMILES

CC1=NN=C(S1)SCSC2=C(N3[C@@H]([C@@H](C3=O)NC(=O)/C(=N\O)/C4=CSC(=N4)N)SC2)C(=O)O

InChI

InChI=1S/C16H15N7O5S5/c1-5-20-21-16(33-5)32-4-31-7-3-29-13-9(12(25)23(13)10(7)14(26)27)19-11(24)8(22-28)6-2-30-15(17)18-6/h2,9,13,28H,3-4H2,1H3,(H2,17,18)(H,19,24)(H,26,27)/b22-8-/t9-,13-/m1/s1