N-(2-isocyanato-3,3-dimethyl-7-oxidanylidene-4-thia-1-azabicyclo[3.2.0]heptan-6-yl)-2-phenyl-ethanamide

Systemtic Name: N-(2-isocyanato-3,3-dimethyl-7-oxidanylidene-4-thia-1-azabicyclo[3.2.0]heptan-6-yl)-2-phenyl-ethanamide Openeye Name: N-(2-isocyanato-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptan-6-yl)-2-phenyl-acetamide CAS Name: N-(2-isocyanato-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptan-6-yl)-2-phenylacetamide IUPAC Name: N-(2-isocyanato-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptan-6-yl)-2-phenylacetamide Traditional Name: N-(2-isocyanato-7-keto-3,3-dimethyl-4-thia-1-azabicyclo[3.2.0]heptan-6-yl)-2-phenyl-acetamide Formula: C16H17N3O3S MolecularWeight: 331.38948

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H17N3O3S/c1-16(2)15(17-9-20)19-13(22)12(14(19)23-16)18-11(21)8-10-6-4-3-5-7-10/h3-7,12,14-15H,8H2,1-2H3,(H,18,21)