(diphenylmethyl) (2S,3R,5R)-3-methanoyl-3-methyl-7-oxidanylidene-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate

Systemtic Name: (diphenylmethyl) (2S,3R,5R)-3-methanoyl-3-methyl-7-oxidanylidene-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate Openeye Name: benzhydryl (2S,3R,5R)-3-formyl-3-methyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate CAS Name: (2S,3R,5R)-3-formyl-3-methyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid (diphenylmethyl) ester IUPAC Name: benzhydryl (2S,3R,5R)-3-formyl-3-methyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate Traditional Name: (2S,3R,5R)-3-formyl-7-keto-3-methyl-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid benzhydryl ester Formula: C21H19NO4S MolecularWeight: 381.44486

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(N2C(S1)CC2=O)C(=O)OC(C3=CC=CC=C3)C4=CC=CC=C4)C=O

Isomeric SMILES

C[C@@]1([C@@H](N2[C@H](S1)CC2=O)C(=O)OC(C3=CC=CC=C3)C4=CC=CC=C4)C=O

InChI

InChI=1S/C21H19NO4S/c1-21(13-23)19(22-16(24)12-17(22)27-21)20(25)26-18(14-8-4-2-5-9-14)15-10-6-3-7-11-15/h2-11,13,17-19H,12H2,1H3/t17-,19+,21+/m1/s1