[2-(1-adamantylamino)-2-oxidanylidene-ethyl] 2-(5-thiophen-2-yl-1,2,3,4-tetrazol-2-yl)ethanoate

Systemtic Name: [2-(1-adamantylamino)-2-oxidanylidene-ethyl] 2-(5-thiophen-2-yl-1,2,3,4-tetrazol-2-yl)ethanoate Openeye Name: [2-(1-adamantylamino)-2-oxo-ethyl] 2-[5-(2-thienyl)tetrazol-2-yl]acetate CAS Name: 2-(5-thiophen-2-yl-2-tetrazolyl)acetic acid [2-(1-adamantylamino)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantylamino)-2-oxoethyl] 2-(5-thiophen-2-yltetrazol-2-yl)acetate Traditional Name: 2-[5-(2-thienyl)tetrazol-2-yl]acetic acid [2-(1-adamantylamino)-2-keto-ethyl] ester Formula: C19H23N5O3S MolecularWeight: 401.48262

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)NC(=O)COC(=O)CN4N=C(N=N4)C5=CC=CS5

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)NC(=O)COC(=O)CN4N=C(N=N4)C5=CC=CS5

InChI

InChI=1S/C19H23N5O3S/c25-16(20-19-7-12-4-13(8-19)6-14(5-12)9-19)11-27-17(26)10-24-22-18(21-23-24)15-2-1-3-28-15/h1-3,12-14H,4-11H2,(H,20,25)