3-(acetyloxymethyl)-7-[[1-[2-[(2-methylpropan-2-yl)oxy]-2-oxidanylidene-ethyl]imidazol-2-yl]amino]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Systemtic Name: 3-(acetyloxymethyl)-7-[[1-[2-[(2-methylpropan-2-yl)oxy]-2-oxidanylidene-ethyl]imidazol-2-yl]amino]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: 3-(acetoxymethyl)-7-[[1-(2-tert-butoxy-2-oxo-ethyl)imidazol-2-yl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: 3-(acetyloxymethyl)-7-[[1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-2-imidazolyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: 3-(acetyloxymethyl)-7-[[1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]imidazol-2-yl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: 3-(acetoxymethyl)-7-[[1-(2-tert-butoxy-2-keto-ethyl)imidazol-2-yl]amino]-8-keto-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C19H24N4O7S MolecularWeight: 452.48146

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC1=C(N2C(C(C2=O)NC3=NC=CN3CC(=O)OC(C)(C)C)SC1)C(=O)O

Isomeric SMILES

CC(=O)OCC1=C(N2C(C(C2=O)NC3=NC=CN3CC(=O)OC(C)(C)C)SC1)C(=O)O

InChI

InChI=1S/C19H24N4O7S/c1-10(24)29-8-11-9-31-16-13(15(26)23(16)14(11)17(27)28)21-18-20-5-6-22(18)7-12(25)30-19(2,3)4/h5-6,13,16H,7-9H2,1-4H3,(H,20,21)(H,27,28)