(4R,5S,6S)-3-(methoxymethylsulfanyl)-4-methyl-6-[(1R)-1-oxidanylethyl]-7-oxidanylidene-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid

Systemtic Name: (4R,5S,6S)-3-(methoxymethylsulfanyl)-4-methyl-6-[(1R)-1-oxidanylethyl]-7-oxidanylidene-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Openeye Name: (4R,5S,6S)-6-[(1R)-1-hydroxyethyl]-3-(methoxymethylsulfanyl)-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid CAS Name: (4R,5S,6S)-6-[(1R)-1-hydroxyethyl]-3-(methoxymethylthio)-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid IUPAC Name: (4R,5S,6S)-6-[(1R)-1-hydroxyethyl]-3-(methoxymethylsulfanyl)-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Traditional Name: (4R,5S,6S)-6-[(1R)-1-hydroxyethyl]-7-keto-3-(methoxymethylthio)-4-methyl-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Formula: C12H17NO5S MolecularWeight: 287.33208

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Descriptors Computed from Structure

Canonical SMILES:

CC1C2C(C(=O)N2C(=C1SCOC)C(=O)O)C(C)O

Isomeric SMILES

C[C@@H]1[C@@H]2[C@H](C(=O)N2C(=C1SCOC)C(=O)O)[C@@H](C)O

InChI

InChI=1S/C12H17NO5S/c1-5-8-7(6(2)14)11(15)13(8)9(12(16)17)10(5)19-4-18-3/h5-8,14H,4H2,1-3H3,(H,16,17)/t5-,6-,7-,8-/m1/s1