(6S)-7-azanyl-3-(oxan-2-ylmethyl)-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Systemtic Name: (6S)-7-azanyl-3-(oxan-2-ylmethyl)-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: (6S)-7-amino-8-oxo-3-(tetrahydropyran-2-ylmethyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: (6S)-7-amino-3-(2-oxanylmethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: (6S)-7-amino-3-(oxan-2-ylmethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: (6S)-7-amino-8-keto-3-(tetrahydropyran-2-ylmethyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C13H18N2O4S MolecularWeight: 298.35802

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Descriptors Computed from Structure

Canonical SMILES:

C1CCOC(C1)CC2=C(N3C(C(C3=O)N)SC2)C(=O)O

Isomeric SMILES

C1CCOC(C1)CC2=C(N3[C@H](C(C3=O)N)SC2)C(=O)O

InChI

InChI=1S/C13H18N2O4S/c14-9-11(16)15-10(13(17)18)7(6-20-12(9)15)5-8-3-1-2-4-19-8/h8-9,12H,1-6,14H2,(H,17,18)/t8?,9?,12-/m0/s1