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

Systemtic Name: 6-cyano-3,3-dimethyl-7-oxidanylidene-6-(2-phenylethanoylamino)-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid Openeye Name: 6-cyano-3,3-dimethyl-7-oxo-6-[(2-phenylacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid CAS Name: 6-cyano-3,3-dimethyl-7-oxo-6-[(1-oxo-2-phenylethyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid IUPAC Name: 6-cyano-3,3-dimethyl-7-oxo-6-[(2-phenylacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid Traditional Name: 6-cyano-7-keto-3,3-dimethyl-6-[(2-phenylacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid Formula: C17H17N3O4S MolecularWeight: 359.39958

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(N2C(S1)C(C2=O)(C#N)NC(=O)CC3=CC=CC=C3)C(=O)O)C

Isomeric SMILES

CC1(C(N2C(S1)C(C2=O)(C#N)NC(=O)CC3=CC=CC=C3)C(=O)O)C

InChI

InChI=1S/C17H17N3O4S/c1-16(2)12(13(22)23)20-14(24)17(9-18,15(20)25-16)19-11(21)8-10-6-4-3-5-7-10/h3-7,12,15H,8H2,1-2H3,(H,19,21)(H,22,23)