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

Systemtic Name: [2-(1-adamantylmethylamino)-2-oxidanylidene-ethyl] 2-(5-thiophen-2-yl-1,2,3,4-tetrazol-2-yl)ethanoate Openeye Name: [2-(1-adamantylmethylamino)-2-oxo-ethyl] 2-[5-(2-thienyl)tetrazol-2-yl]acetate CAS Name: 2-(5-thiophen-2-yl-2-tetrazolyl)acetic acid [2-(1-adamantylmethylamino)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantylmethylamino)-2-oxoethyl] 2-(5-thiophen-2-yltetrazol-2-yl)acetate Traditional Name: 2-[5-(2-thienyl)tetrazol-2-yl]acetic acid [2-(1-adamantylmethylamino)-2-keto-ethyl] ester Formula: C20H25N5O3S MolecularWeight: 415.5092

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H25N5O3S/c26-17(21-12-20-7-13-4-14(8-20)6-15(5-13)9-20)11-28-18(27)10-25-23-19(22-24-25)16-2-1-3-29-16/h1-3,13-15H,4-12H2,(H,21,26)