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

Systemtic Name: [2-(1-adamantylamino)-2-oxidanylidene-ethyl] 2-(5-oxidanylidene-4-thiophen-2-yl-1,2,3,4-tetrazol-1-yl)ethanoate Openeye Name: [2-(1-adamantylamino)-2-oxo-ethyl] 2-[5-oxo-4-(2-thienyl)tetrazol-1-yl]acetate CAS Name: 2-(5-oxo-4-thiophen-2-yl-1-tetrazolyl)acetic acid [2-(1-adamantylamino)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantylamino)-2-oxoethyl] 2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)acetate Traditional Name: 2-[5-keto-4-(2-thienyl)tetrazol-1-yl]acetic acid [2-(1-adamantylamino)-2-keto-ethyl] ester Formula: C19H23N5O4S MolecularWeight: 417.48202

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)NC(=O)COC(=O)CN4C(=O)N(N=N4)C5=CC=CS5

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)NC(=O)COC(=O)CN4C(=O)N(N=N4)C5=CC=CS5

InChI

InChI=1S/C19H23N5O4S/c25-15(20-19-7-12-4-13(8-19)6-14(5-12)9-19)11-28-17(26)10-23-18(27)24(22-21-23)16-2-1-3-29-16/h1-3,12-14H,4-11H2,(H,20,25)