2-(2-formamido-2-isocyanato-cyclohexyl)-3,3-dimethyl-7-oxidanylidene-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid

Systemtic Name: 2-(2-formamido-2-isocyanato-cyclohexyl)-3,3-dimethyl-7-oxidanylidene-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid Openeye Name: 2-(2-formamido-2-isocyanato-cyclohexyl)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid CAS Name: 2-(2-formamido-2-isocyanatocyclohexyl)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid IUPAC Name: 2-(2-formamido-2-isocyanatocyclohexyl)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid Traditional Name: 2-(2-formamido-2-isocyanato-cyclohexyl)-7-keto-3,3-dimethyl-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid Formula: C16H21N3O5S MolecularWeight: 367.42004

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(N2C(S1)CC2=O)(C3CCCCC3(NC=O)N=C=O)C(=O)O)C

Isomeric SMILES

CC1(C(N2C(S1)CC2=O)(C3CCCCC3(NC=O)N=C=O)C(=O)O)C

InChI

InChI=1S/C16H21N3O5S/c1-14(2)16(13(23)24,19-11(22)7-12(19)25-14)10-5-3-4-6-15(10,17-8-20)18-9-21/h8,10,12H,3-7H2,1-2H3,(H,17,20)(H,23,24)