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

Systemtic Name: (phenylmethyl) 6-cyano-3,3-dimethyl-7-oxidanylidene-6-(2-phenylethanoylamino)-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate Openeye Name: benzyl 6-cyano-3,3-dimethyl-7-oxo-6-[(2-phenylacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate 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 (phenylmethyl) ester IUPAC Name: benzyl 6-cyano-3,3-dimethyl-7-oxo-6-[(2-phenylacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate Traditional Name: 6-cyano-7-keto-3,3-dimethyl-6-[(2-phenylacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid benzyl ester Formula: C24H23N3O4S MolecularWeight: 449.52212

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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)OCC4=CC=CC=C4)C

Isomeric SMILES

CC1(C(N2C(S1)C(C2=O)(C#N)NC(=O)CC3=CC=CC=C3)C(=O)OCC4=CC=CC=C4)C

InChI

InChI=1S/C24H23N3O4S/c1-23(2)19(20(29)31-14-17-11-7-4-8-12-17)27-21(30)24(15-25,22(27)32-23)26-18(28)13-16-9-5-3-6-10-16/h3-12,19,22H,13-14H2,1-2H3,(H,26,28)