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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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