tert-butyl 3-[acetyloxy-[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-7-formamido-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Systemtic Name: tert-butyl 3-[acetyloxy-[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-7-formamido-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Openeye Name: tert-butyl 3-[acetoxy-(tert-butoxycarbonylamino)methyl]-7-formamido-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate CAS Name: 3-[acetyloxy-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]methyl]-7-formamido-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-[acetyloxy-[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-7-formamido-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Traditional Name: 3-[acetoxy-(tert-butoxycarbonylamino)methyl]-7-formamido-8-keto-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid tert-butyl ester Formula: C20H29N3O8S MolecularWeight: 471.52456

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC(C1=C(N2C(C(C2=O)NC=O)SC1)C(=O)OC(C)(C)C)NC(=O)OC(C)(C)C

Isomeric SMILES

CC(=O)OC(C1=C(N2C(C(C2=O)NC=O)SC1)C(=O)OC(C)(C)C)NC(=O)OC(C)(C)C

InChI

InChI=1S/C20H29N3O8S/c1-10(25)29-14(22-18(28)31-20(5,6)7)11-8-32-16-12(21-9-24)15(26)23(16)13(11)17(27)30-19(2,3)4/h9,12,14,16H,8H2,1-7H3,(H,21,24)(H,22,28)