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

Systemtic Name: 6-ethyl-3,3-dimethyl-7-oxidanylidene-2-(phenylmethyl)-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate Openeye Name: 2-benzyl-6-ethyl-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate CAS Name: 6-ethyl-3,3-dimethyl-7-oxo-2-(phenylmethyl)-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate IUPAC Name: 2-benzyl-6-ethyl-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate Traditional Name: 2-benzyl-6-ethyl-7-keto-3,3-dimethyl-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate Formula: C17H20NO3S- MolecularWeight: 318.4106

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C2N(C1=O)C(C(S2)(C)C)(CC3=CC=CC=C3)C(=O)[O-]

Isomeric SMILES

CCC1C2N(C1=O)C(C(S2)(C)C)(CC3=CC=CC=C3)C(=O)[O-]

InChI

InChI=1S/C17H21NO3S/c1-4-12-13(19)18-14(12)22-16(2,3)17(18,15(20)21)10-11-8-6-5-7-9-11/h5-9,12,14H,4,10H2,1-3H3,(H,20,21)/p-1