3-[acetyloxy-[[(2E)-2-(1-azanylpropan-2-yloxyimino)-2-(2-azanyl-1,3-thiazol-4-yl)ethanoyl]amino]methyl]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Systemtic Name: 3-[acetyloxy-[[(2E)-2-(1-azanylpropan-2-yloxyimino)-2-(2-azanyl-1,3-thiazol-4-yl)ethanoyl]amino]methyl]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: 3-[acetoxy-[[(2E)-2-(2-amino-1-methyl-ethoxy)imino-2-(2-aminothiazol-4-yl)acetyl]amino]methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: 3-[acetyloxy-[[(2E)-2-(1-aminopropan-2-yloxyimino)-2-(2-amino-4-thiazolyl)-1-oxoethyl]amino]methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: 3-[acetyloxy-[[(2E)-2-(1-aminopropan-2-yloxyimino)-2-(2-amino-1,3-thiazol-4-yl)acetyl]amino]methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: 3-[acetoxy-[[(2E)-2-(2-amino-1-methyl-ethyl)oximino-2-(2-aminothiazol-4-yl)acetyl]amino]methyl]-8-keto-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C18H22N6O7S2 MolecularWeight: 498.53328

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Descriptors Computed from Structure

Canonical SMILES:

CC(CN)ON=C(C1=CSC(=N1)N)C(=O)NC(C2=C(N3C(CC3=O)SC2)C(=O)O)OC(=O)C

Isomeric SMILES

CC(CN)O/N=C(\C1=CSC(=N1)N)/C(=O)NC(C2=C(N3C(CC3=O)SC2)C(=O)O)OC(=O)C

InChI

InChI=1S/C18H22N6O7S2/c1-7(4-19)31-23-13(10-6-33-18(20)21-10)15(27)22-16(30-8(2)25)9-5-32-12-3-11(26)24(12)14(9)17(28)29/h6-7,12,16H,3-5,19H2,1-2H3,(H2,20,21)(H,22,27)(H,28,29)/b23-13+