(2S,5R)-3,3-dimethyl-7-oxidanylidene-6-[3-(2-oxidanylidenepyrrolidin-1-yl)-2-phenyl-prop-1-enylidene]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid

Systemtic Name: (2S,5R)-3,3-dimethyl-7-oxidanylidene-6-[3-(2-oxidanylidenepyrrolidin-1-yl)-2-phenyl-prop-1-enylidene]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid Openeye Name: (2S,5R)-3,3-dimethyl-7-oxo-6-[3-(2-oxopyrrolidin-1-yl)-2-phenyl-prop-1-enylidene]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid CAS Name: (2S,5R)-3,3-dimethyl-7-oxo-6-[3-(2-oxo-1-pyrrolidinyl)-2-phenylprop-1-enylidene]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid IUPAC Name: (2S,5R)-3,3-dimethyl-7-oxo-6-[3-(2-oxopyrrolidin-1-yl)-2-phenylprop-1-enylidene]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid Traditional Name: (2S,5R)-7-keto-6-[3-(2-ketopyrrolidino)-2-phenyl-prop-1-enylidene]-3,3-dimethyl-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid Formula: C21H22N2O4S MolecularWeight: 398.47538

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(C(N2C(S1)C(=C=C(CN3CCCC3=O)C4=CC=CC=C4)C2=O)C(=O)O)C

Isomeric SMILES

CC1([C@@H](N2[C@H](S1)C(=C=C(CN3CCCC3=O)C4=CC=CC=C4)C2=O)C(=O)O)C

InChI

InChI=1S/C21H22N2O4S/c1-21(2)17(20(26)27)23-18(25)15(19(23)28-21)11-14(13-7-4-3-5-8-13)12-22-10-6-9-16(22)24/h3-5,7-8,17,19H,6,9-10,12H2,1-2H3,(H,26,27)/t11?,17-,19+/m0/s1