(6S,7R)-7-(butoxycarbonylamino)-3-methylidene-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]octane-2-carboxylate

Systemtic Name: (6S,7R)-7-(butoxycarbonylamino)-3-methylidene-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]octane-2-carboxylate Openeye Name: (6S,7R)-7-(butoxycarbonylamino)-3-methylene-8-oxo-5-thia-1-azabicyclo[4.2.0]octane-2-carboxylate CAS Name: (6S,7R)-7-[[butoxy(oxo)methyl]amino]-3-methylene-8-oxo-5-thia-1-azabicyclo[4.2.0]octane-2-carboxylate IUPAC Name: (6S,7R)-7-(butoxycarbonylamino)-3-methylidene-8-oxo-5-thia-1-azabicyclo[4.2.0]octane-2-carboxylate Traditional Name: (6S,7R)-7-(butoxycarbonylamino)-8-keto-3-methylene-5-thia-1-azabicyclo[4.2.0]octane-2-carboxylate Formula: C13H17N2O5S- MolecularWeight: 313.34948

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)NC1C2N(C1=O)C(C(=C)CS2)C(=O)[O-]

Isomeric SMILES

CCCCOC(=O)N[C@H]1[C@H]2N(C1=O)C(C(=C)CS2)C(=O)[O-]

InChI

InChI=1S/C13H18N2O5S/c1-3-4-5-20-13(19)14-8-10(16)15-9(12(17)18)7(2)6-21-11(8)15/h8-9,11H,2-6H2,1H3,(H,14,19)(H,17,18)/p-1/t8-,9?,11+/m1/s1