2,2-dimethylpropanoyloxymethyl 3-methyl-7-[(2-methylpropan-2-yl)oxycarbonylamino]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Systemtic Name: 2,2-dimethylpropanoyloxymethyl 3-methyl-7-[(2-methylpropan-2-yl)oxycarbonylamino]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Openeye Name: 2,2-dimethylpropanoyloxymethyl 7-(tert-butoxycarbonylamino)-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate CAS Name: 3-methyl-7-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid (2,2-dimethyl-1-oxopropoxy)methyl ester IUPAC Name: 2,2-dimethylpropanoyloxymethyl 3-methyl-7-[(2-methylpropan-2-yl)oxycarbonylamino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Traditional Name: 7-(tert-butoxycarbonylamino)-8-keto-3-methyl-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid pivaloyloxymethyl ester Formula: C19H28N2O7S MolecularWeight: 428.49982

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N2C(C(C2=O)NC(=O)OC(C)(C)C)SC1)C(=O)OCOC(=O)C(C)(C)C

Isomeric SMILES

CC1=C(N2C(C(C2=O)NC(=O)OC(C)(C)C)SC1)C(=O)OCOC(=O)C(C)(C)C

InChI

InChI=1S/C19H28N2O7S/c1-10-8-29-14-11(20-17(25)28-19(5,6)7)13(22)21(14)12(10)15(23)26-9-27-16(24)18(2,3)4/h11,14H,8-9H2,1-7H3,(H,20,25)