(2S,3R,5R,6R)-3-(1,3-benzoxazol-2-ylsulfanylmethyl)-6-bromanyl-3-methyl-7-oxidanylidene-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid

Systemtic Name: (2S,3R,5R,6R)-3-(1,3-benzoxazol-2-ylsulfanylmethyl)-6-bromanyl-3-methyl-7-oxidanylidene-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid Openeye Name: (2S,3R,5R,6R)-3-(1,3-benzoxazol-2-ylsulfanylmethyl)-6-bromo-3-methyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid CAS Name: (2S,3R,5R,6R)-3-[(1,3-benzoxazol-2-ylthio)methyl]-6-bromo-3-methyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid IUPAC Name: (2S,3R,5R,6R)-3-(1,3-benzoxazol-2-ylsulfanylmethyl)-6-bromo-3-methyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid Traditional Name: (2S,3R,5R,6R)-3-[(1,3-benzoxazol-2-ylthio)methyl]-6-bromo-7-keto-3-methyl-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid Formula: C15H13BrN2O4S2 MolecularWeight: 429.30872

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(N2C(S1)C(C2=O)Br)C(=O)O)CSC3=NC4=CC=CC=C4O3

Isomeric SMILES

C[C@@]1([C@@H](N2[C@H](S1)[C@@H](C2=O)Br)C(=O)O)CSC3=NC4=CC=CC=C4O3

InChI

InChI=1S/C15H13BrN2O4S2/c1-15(6-23-14-17-7-4-2-3-5-8(7)22-14)10(13(20)21)18-11(19)9(16)12(18)24-15/h2-5,9-10,12H,6H2,1H3,(H,20,21)/t9-,10+,12-,15+/m1/s1