6-cyano-6-[(2-cyclohexyl-2-phenylsulfanyl-ethanoyl)amino]-3,3-dimethyl-7-oxidanylidene-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid

Systemtic Name: 6-cyano-6-[(2-cyclohexyl-2-phenylsulfanyl-ethanoyl)amino]-3,3-dimethyl-7-oxidanylidene-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid Openeye Name: 6-cyano-6-[(2-cyclohexyl-2-phenylsulfanyl-acetyl)amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid CAS Name: 6-cyano-6-[[2-cyclohexyl-1-oxo-2-(phenylthio)ethyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid IUPAC Name: 6-cyano-6-[(2-cyclohexyl-2-phenylsulfanylacetyl)amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid Traditional Name: 6-cyano-6-[[2-cyclohexyl-2-(phenylthio)acetyl]amino]-7-keto-3,3-dimethyl-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid Formula: C23H27N3O4S2 MolecularWeight: 473.60818

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(N2C(S1)C(C2=O)(C#N)NC(=O)C(C3CCCCC3)SC4=CC=CC=C4)C(=O)O)C

Isomeric SMILES

CC1(C(N2C(S1)C(C2=O)(C#N)NC(=O)C(C3CCCCC3)SC4=CC=CC=C4)C(=O)O)C

InChI

InChI=1S/C23H27N3O4S2/c1-22(2)17(19(28)29)26-20(30)23(13-24,21(26)32-22)25-18(27)16(14-9-5-3-6-10-14)31-15-11-7-4-8-12-15/h4,7-8,11-12,14,16-17,21H,3,5-6,9-10H2,1-2H3,(H,25,27)(H,28,29)