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-(4-pentoxyphenyl)ethanamide

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-(4-pentoxyphenyl)ethanamide 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-(4-pentoxyphenyl)acetamide 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-(4-pentoxyphenyl)acetamide 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-(4-pentoxyphenyl)acetamide Traditional Name: 2-amino-2-(4-amoxyphenyl)-N-[7-keto-3,3-dimethyl-2-(2H-tetrazol-5-yl)-4-thia-1-azabicyclo[3.2.0]heptan-6-yl]acetamide Formula: C21H29N7O3S MolecularWeight: 459.56506

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=CC=C(C=C1)C(C(=O)NC2C3N(C2=O)C(C(S3)(C)C)C4=NNN=N4)N

Isomeric SMILES

CCCCCOC1=CC=C(C=C1)C(C(=O)NC2C3N(C2=O)C(C(S3)(C)C)C4=NNN=N4)N

InChI

InChI=1S/C21H29N7O3S/c1-4-5-6-11-31-13-9-7-12(8-10-13)14(22)18(29)23-15-19(30)28-16(17-24-26-27-25-17)21(2,3)32-20(15)28/h7-10,14-16,20H,4-6,11,22H2,1-3H3,(H,23,29)(H,24,25,26,27)