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

Systemtic Name: tert-butyl (6S,7R)-7-formamido-3-methyl-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Openeye Name: tert-butyl (6S,7R)-7-formamido-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate CAS Name: (6S,7R)-7-formamido-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,7R)-7-formamido-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Traditional Name: (6S,7R)-7-formamido-8-keto-3-methyl-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid tert-butyl ester Formula: C13H18N2O4S MolecularWeight: 298.35802

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H18N2O4S/c1-7-5-20-11-8(14-6-16)10(17)15(11)9(7)12(18)19-13(2,3)4/h6,8,11H,5H2,1-4H3,(H,14,16)/t8-,11+/m1/s1