tert-butyl (6S)-7-(hydroxymethyl)-3-methyl-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Systemtic Name: tert-butyl (6S)-7-(hydroxymethyl)-3-methyl-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Openeye Name: tert-butyl (6S)-7-(hydroxymethyl)-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate CAS Name: (6S)-7-(hydroxymethyl)-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl (6S)-7-(hydroxymethyl)-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Traditional Name: (6S)-8-keto-3-methyl-7-methylol-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid tert-butyl ester Formula: C13H19NO4S MolecularWeight: 285.35926

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N2C(C(C2=O)CO)SC1)C(=O)OC(C)(C)C

Isomeric SMILES

CC1=C(N2[C@H](C(C2=O)CO)SC1)C(=O)OC(C)(C)C

InChI

InChI=1S/C13H19NO4S/c1-7-6-19-11-8(5-15)10(16)14(11)9(7)12(17)18-13(2,3)4/h8,11,15H,5-6H2,1-4H3/t8?,11-/m0/s1