tert-butyl (6R,7S)-3-(acetyloxymethyl)-8-oxidanylidene-7-pentan-3-yloxy-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Systemtic Name: tert-butyl (6R,7S)-3-(acetyloxymethyl)-8-oxidanylidene-7-pentan-3-yloxy-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Openeye Name: tert-butyl (6R,7S)-3-(acetoxymethyl)-7-(1-ethylpropoxy)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate CAS Name: (6R,7S)-3-(acetyloxymethyl)-8-oxo-7-pentan-3-yloxy-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl (6R,7S)-3-(acetyloxymethyl)-8-oxo-7-pentan-3-yloxy-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Traditional Name: (6R,7S)-3-(acetoxymethyl)-7-(1-ethylpropoxy)-8-keto-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid tert-butyl ester Formula: C19H29NO6S MolecularWeight: 399.50166

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)OC1C2N(C1=O)C(=C(CS2)COC(=O)C)C(=O)OC(C)(C)C

Isomeric SMILES

CCC(CC)O[C@@H]1[C@@H]2N(C1=O)C(=C(CS2)COC(=O)C)C(=O)OC(C)(C)C

InChI

InChI=1S/C19H29NO6S/c1-7-13(8-2)25-15-16(22)20-14(18(23)26-19(4,5)6)12(9-24-11(3)21)10-27-17(15)20/h13,15,17H,7-10H2,1-6H3/t15-,17+/m0/s1