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

Systemtic Name: N-(2-isocyanato-3,3-dimethyl-4-thia-1-azabicyclo[3.2.0]heptan-6-yl)-2-(4-nitrophenyl)ethanamide Openeye Name: N-(2-isocyanato-3,3-dimethyl-4-thia-1-azabicyclo[3.2.0]heptan-6-yl)-2-(4-nitrophenyl)acetamide CAS Name: N-(2-isocyanato-3,3-dimethyl-4-thia-1-azabicyclo[3.2.0]heptan-6-yl)-2-(4-nitrophenyl)acetamide IUPAC Name: N-(2-isocyanato-3,3-dimethyl-4-thia-1-azabicyclo[3.2.0]heptan-6-yl)-2-(4-nitrophenyl)acetamide Traditional Name: N-(2-isocyanato-3,3-dimethyl-4-thia-1-azabicyclo[3.2.0]heptan-6-yl)-2-(4-nitrophenyl)acetamide Formula: C16H18N4O4S MolecularWeight: 362.40352

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(N2CC(C2S1)NC(=O)CC3=CC=C(C=C3)[N+](=O)[O-])N=C=O)C

Isomeric SMILES

CC1(C(N2CC(C2S1)NC(=O)CC3=CC=C(C=C3)[N+](=O)[O-])N=C=O)C

InChI

InChI=1S/C16H18N4O4S/c1-16(2)15(17-9-21)19-8-12(14(19)25-16)18-13(22)7-10-3-5-11(6-4-10)20(23)24/h3-6,12,14-15H,7-8H2,1-2H3,(H,18,22)