(5R,6R)-7-oxidanylidene-6-(2-oxidanylideneheptyl)-3-(phenoxymethyl)-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid

Systemtic Name: (5R,6R)-7-oxidanylidene-6-(2-oxidanylideneheptyl)-3-(phenoxymethyl)-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Openeye Name: (5R,6R)-7-oxo-6-(2-oxoheptyl)-3-(phenoxymethyl)-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid CAS Name: (5R,6R)-7-oxo-6-(2-oxoheptyl)-3-(phenoxymethyl)-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid IUPAC Name: (5R,6R)-7-oxo-6-(2-oxoheptyl)-3-(phenoxymethyl)-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Traditional Name: (5R,6R)-7-keto-6-(2-ketoheptyl)-3-(phenoxymethyl)-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Formula: C20H23NO5S MolecularWeight: 389.46532

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)CC1C2N(C1=O)C(=C(S2)COC3=CC=CC=C3)C(=O)O

Isomeric SMILES

CCCCCC(=O)C[C@H]1[C@@H]2N(C1=O)C(=C(S2)COC3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C20H23NO5S/c1-2-3-5-8-13(22)11-15-18(23)21-17(20(24)25)16(27-19(15)21)12-26-14-9-6-4-7-10-14/h4,6-7,9-10,15,19H,2-3,5,8,11-12H2,1H3,(H,24,25)/t15-,19-/m1/s1