(2S,5R)-3,3-dimethyl-7-oxidanylidene-6-[2-(2-phenoxyphenyl)ethanoylamino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid

Systemtic Name: (2S,5R)-3,3-dimethyl-7-oxidanylidene-6-[2-(2-phenoxyphenyl)ethanoylamino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid Openeye Name: (2S,5R)-3,3-dimethyl-7-oxo-6-[[2-(2-phenoxyphenyl)acetyl]amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid CAS Name: (2S,5R)-3,3-dimethyl-7-oxo-6-[[1-oxo-2-(2-phenoxyphenyl)ethyl]amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid IUPAC Name: (2S,5R)-3,3-dimethyl-7-oxo-6-[[2-(2-phenoxyphenyl)acetyl]amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid Traditional Name: (2S,5R)-7-keto-3,3-dimethyl-6-[[2-(2-phenoxyphenyl)acetyl]amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid Formula: C22H22N2O5S MolecularWeight: 426.48548

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(N2C(S1)C(C2=O)NC(=O)CC3=CC=CC=C3OC4=CC=CC=C4)C(=O)O)C

Isomeric SMILES

CC1([C@@H](N2[C@H](S1)C(C2=O)NC(=O)CC3=CC=CC=C3OC4=CC=CC=C4)C(=O)O)C

InChI

InChI=1S/C22H22N2O5S/c1-22(2)18(21(27)28)24-19(26)17(20(24)30-22)23-16(25)12-13-8-6-7-11-15(13)29-14-9-4-3-5-10-14/h3-11,17-18,20H,12H2,1-2H3,(H,23,25)(H,27,28)/t17?,18-,20+/m0/s1