methyl 6-bromanyl-3,3-dimethyl-7-oxidanylidene-6-[oxidanyl(pyridin-3-yl)methyl]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate

Systemtic Name: methyl 6-bromanyl-3,3-dimethyl-7-oxidanylidene-6-[oxidanyl(pyridin-3-yl)methyl]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate Openeye Name: methyl 6-bromo-6-[hydroxy(3-pyridyl)methyl]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate CAS Name: 6-bromo-6-[hydroxy(3-pyridinyl)methyl]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid methyl ester IUPAC Name: methyl 6-bromo-6-[hydroxy(pyridin-3-yl)methyl]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate Traditional Name: 6-bromo-6-[hydroxy(3-pyridyl)methyl]-7-keto-3,3-dimethyl-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid methyl ester Formula: C15H17BrN2O4S MolecularWeight: 401.27548

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(N2C(S1)C(C2=O)(C(C3=CN=CC=C3)O)Br)C(=O)OC)C

Isomeric SMILES

CC1(C(N2C(S1)C(C2=O)(C(C3=CN=CC=C3)O)Br)C(=O)OC)C

InChI

InChI=1S/C15H17BrN2O4S/c1-14(2)9(11(20)22-3)18-12(21)15(16,13(18)23-14)10(19)8-5-4-6-17-7-8/h4-7,9-10,13,19H,1-3H3