(6R,7S)-7-[[(2Z)-2-(2-azanyl-1,3-thiazol-4-yl)-2-(2-methyl-1-oxidanyl-1-oxidanylidene-propan-2-yl)oxyimino-ethanoyl]amino]-3-chloranyl-8-oxidanylidene-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Systemtic Name: (6R,7S)-7-[[(2Z)-2-(2-azanyl-1,3-thiazol-4-yl)-2-(2-methyl-1-oxidanyl-1-oxidanylidene-propan-2-yl)oxyimino-ethanoyl]amino]-3-chloranyl-8-oxidanylidene-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: (6R,7S)-7-[[(2Z)-2-(2-aminothiazol-4-yl)-2-(2-hydroxy-1,1-dimethyl-2-oxo-ethoxy)imino-acetyl]amino]-3-chloro-8-oxo-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: (6R,7S)-7-[[(2Z)-2-(2-amino-4-thiazolyl)-2-(1-hydroxy-2-methyl-1-oxopropan-2-yl)oxyimino-1-oxoethyl]amino]-3-chloro-8-oxo-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: (6R,7S)-7-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(1-hydroxy-2-methyl-1-oxopropan-2-yl)oxyiminoacetyl]amino]-3-chloro-8-oxo-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: (6R,7S)-7-[[(2Z)-2-(2-aminothiazol-4-yl)-2-(2-hydroxy-2-keto-1,1-dimethyl-ethyl)oximino-acetyl]amino]-3-chloro-8-keto-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C17H18ClN5O7S MolecularWeight: 471.87212

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(=O)O)ON=C(C1=CSC(=N1)N)C(=O)NC2C3CCC(=C(N3C2=O)C(=O)O)Cl

Isomeric SMILES

CC(C)(C(=O)O)O/N=C(/C1=CSC(=N1)N)\C(=O)N[C@H]2[C@H]3CCC(=C(N3C2=O)C(=O)O)Cl

InChI

InChI=1S/C17H18ClN5O7S/c1-17(2,15(28)29)30-22-9(7-5-31-16(19)20-7)12(24)21-10-8-4-3-6(18)11(14(26)27)23(8)13(10)25/h5,8,10H,3-4H2,1-2H3,(H2,19,20)(H,21,24)(H,26,27)(H,28,29)/b22-9-/t8-,10+/m1/s1