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

Systemtic Name: (4R,5R,6S)-3-[(5-bromanylpyridin-3-yl)methylsulfanyl]-4-methyl-6-[(1R)-1-oxidanylethyl]-7-oxidanylidene-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Openeye Name: (4R,5R,6S)-3-[(5-bromo-3-pyridyl)methylsulfanyl]-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid CAS Name: (4R,5R,6S)-3-[(5-bromo-3-pyridinyl)methylthio]-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid IUPAC Name: (4R,5R,6S)-3-[(5-bromopyridin-3-yl)methylsulfanyl]-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Traditional Name: (4R,5R,6S)-3-[(5-bromo-3-pyridyl)methylthio]-6-[(1R)-1-hydroxyethyl]-7-keto-4-methyl-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Formula: C16H17BrN2O4S MolecularWeight: 413.28618

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Descriptors Computed from Structure

Canonical SMILES:

CC1C2C(C(=O)N2C(=C1SCC3=CC(=CN=C3)Br)C(=O)O)C(C)O

Isomeric SMILES

C[C@@H]1[C@H]2[C@H](C(=O)N2C(=C1SCC3=CC(=CN=C3)Br)C(=O)O)[C@@H](C)O

InChI

InChI=1S/C16H17BrN2O4S/c1-7-12-11(8(2)20)15(21)19(12)13(16(22)23)14(7)24-6-9-3-10(17)5-18-4-9/h3-5,7-8,11-12,20H,6H2,1-2H3,(H,22,23)/t7-,8-,11-,12+/m1/s1