2-azanyl-N-[3,3-dimethyl-7-oxidanylidene-2-(2H-1,2,3,4-tetrazol-5-yl)-4-thia-1-azabicyclo[3.2.0]heptan-6-yl]-2-phenyl-ethanamide trihydrate

Systemtic Name: 2-azanyl-N-[3,3-dimethyl-7-oxidanylidene-2-(2H-1,2,3,4-tetrazol-5-yl)-4-thia-1-azabicyclo[3.2.0]heptan-6-yl]-2-phenyl-ethanamide trihydrate Openeye Name: 2-amino-N-[3,3-dimethyl-7-oxo-2-(2H-tetrazol-5-yl)-4-thia-1-azabicyclo[3.2.0]heptan-6-yl]-2-phenyl-acetamide trihydrate CAS Name: 2-amino-N-[3,3-dimethyl-7-oxo-2-(2H-tetrazol-5-yl)-4-thia-1-azabicyclo[3.2.0]heptan-6-yl]-2-phenylacetamide trihydrate IUPAC Name: 2-amino-N-[3,3-dimethyl-7-oxo-2-(2H-tetrazol-5-yl)-4-thia-1-azabicyclo[3.2.0]heptan-6-yl]-2-phenylacetamide trihydrate Traditional Name: 2-amino-N-[7-keto-3,3-dimethyl-2-(2H-tetrazol-5-yl)-4-thia-1-azabicyclo[3.2.0]heptan-6-yl]-2-phenyl-acetamide trihydrate Formula: C16H25N7O5S MolecularWeight: 427.4786

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(N2C(S1)C(C2=O)NC(=O)C(C3=CC=CC=C3)N)C4=NNN=N4)C.O.O.O

Isomeric SMILES

CC1(C(N2C(S1)C(C2=O)NC(=O)C(C3=CC=CC=C3)N)C4=NNN=N4)C.O.O.O

InChI

InChI=1S/C16H19N7O2S.3H2O/c1-16(2)11(12-19-21-22-20-12)23-14(25)10(15(23)26-16)18-13(24)9(17)8-6-4-3-5-7-8;;;/h3-7,9-11,15H,17H2,1-2H3,(H,18,24)(H,19,20,21,22);3*1H2