propyl (6R,7R)-3-methyl-8-oxidanylidene-7-(propylamino)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Systemtic Name: propyl (6R,7R)-3-methyl-8-oxidanylidene-7-(propylamino)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Openeye Name: propyl (6R,7R)-3-methyl-8-oxo-7-(propylamino)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate CAS Name: (6R,7R)-3-methyl-8-oxo-7-(propylamino)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid propyl ester IUPAC Name: propyl (6R,7R)-3-methyl-8-oxo-7-(propylamino)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Traditional Name: (6R,7R)-8-keto-3-methyl-7-(propylamino)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid propyl ester Formula: C14H22N2O3S MolecularWeight: 298.40108

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC1C2N(C1=O)C(=C(CS2)C)C(=O)OCCC

Isomeric SMILES

CCCN[C@H]1[C@@H]2N(C1=O)C(=C(CS2)C)C(=O)OCCC

InChI

InChI=1S/C14H22N2O3S/c1-4-6-15-10-12(17)16-11(14(18)19-7-5-2)9(3)8-20-13(10)16/h10,13,15H,4-8H2,1-3H3/t10-,13-/m1/s1