6-cyano-6-[(2-cyclopentyl-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-cyclopentyl-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-cyclopentyl-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-cyclopentyl-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-cyclopentyl-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-cyclopentyl-2-(phenylthio)acetyl]amino]-7-keto-3,3-dimethyl-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid Formula: C22H25N3O4S2 MolecularWeight: 459.5816

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(N2C(S1)C(C2=O)(C#N)NC(=O)C(C3CCCC3)SC4=CC=CC=C4)C(=O)O)C

Isomeric SMILES

CC1(C(N2C(S1)C(C2=O)(C#N)NC(=O)C(C3CCCC3)SC4=CC=CC=C4)C(=O)O)C

InChI

InChI=1S/C22H25N3O4S2/c1-21(2)16(18(27)28)25-19(29)22(12-23,20(25)31-21)24-17(26)15(13-8-6-7-9-13)30-14-10-4-3-5-11-14/h3-5,10-11,13,15-16,20H,6-9H2,1-2H3,(H,24,26)(H,27,28)