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

Systemtic Name: tert-butyl (7S)-3-(chloromethyl)-7-methoxy-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-3-ene-2-carboxylate Openeye Name: tert-butyl (7S)-3-(chloromethyl)-7-methoxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-3-ene-2-carboxylate CAS Name: (7S)-3-(chloromethyl)-7-methoxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-3-ene-2-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl (7S)-3-(chloromethyl)-7-methoxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-3-ene-2-carboxylate Traditional Name: (7S)-3-(chloromethyl)-8-keto-7-methoxy-5-thia-1-azabicyclo[4.2.0]oct-3-ene-2-carboxylic acid tert-butyl ester Formula: C13H18ClNO4S MolecularWeight: 319.80432

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1C(=CSC2N1C(=O)C2OC)CCl

Isomeric SMILES

CC(C)(C)OC(=O)C1C(=CSC2N1C(=O)[C@@H]2OC)CCl

InChI

InChI=1S/C13H18ClNO4S/c1-13(2,3)19-12(17)8-7(5-14)6-20-11-9(18-4)10(16)15(8)11/h6,8-9,11H,5H2,1-4H3/t8?,9-,11?/m0/s1