(1S,7S)-7-[(1R)-1-oxidanylethyl]-6-oxidanylidene-3-[(2R)-oxolan-2-yl]-2-thiabicyclo[3.2.0]hept-3-ene-4-carboxylic acid

Systemtic Name: (1S,7S)-7-[(1R)-1-oxidanylethyl]-6-oxidanylidene-3-[(2R)-oxolan-2-yl]-2-thiabicyclo[3.2.0]hept-3-ene-4-carboxylic acid Openeye Name: (1S,7S)-7-[(1R)-1-hydroxyethyl]-6-oxo-3-[(2R)-tetrahydrofuran-2-yl]-2-thiabicyclo[3.2.0]hept-3-ene-4-carboxylic acid CAS Name: (1S,7S)-7-[(1R)-1-hydroxyethyl]-6-oxo-3-[(2R)-2-oxolanyl]-2-thiabicyclo[3.2.0]hept-3-ene-4-carboxylic acid IUPAC Name: (1S,7S)-7-[(1R)-1-hydroxyethyl]-6-oxo-3-[(2R)-oxolan-2-yl]-2-thiabicyclo[3.2.0]hept-3-ene-4-carboxylic acid Traditional Name: (1S,7S)-7-[(1R)-1-hydroxyethyl]-6-keto-3-[(2R)-tetrahydrofuran-2-yl]-2-thiabicyclo[3.2.0]hept-3-ene-4-carboxylic acid Formula: C13H16O5S MolecularWeight: 284.32814

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1C2C(C1=O)C(=C(S2)C3CCCO3)C(=O)O)O

Isomeric SMILES

C[C@H]([C@@H]1[C@@H]2C(C1=O)C(=C(S2)[C@H]3CCCO3)C(=O)O)O

InChI

InChI=1S/C13H16O5S/c1-5(14)7-10(15)8-9(13(16)17)11(19-12(7)8)6-3-2-4-18-6/h5-8,12,14H,2-4H2,1H3,(H,16,17)/t5-,6-,7+,8?,12-/m1/s1