[2-(1-adamantylamino)-2-oxidanylidene-ethyl] 4-thiophen-2-ylbutanoate

Systemtic Name: [2-(1-adamantylamino)-2-oxidanylidene-ethyl] 4-thiophen-2-ylbutanoate Openeye Name: [2-(1-adamantylamino)-2-oxo-ethyl] 4-(2-thienyl)butanoate CAS Name: 4-thiophen-2-ylbutanoic acid [2-(1-adamantylamino)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantylamino)-2-oxoethyl] 4-thiophen-2-ylbutanoate Traditional Name: 4-(2-thienyl)butyric acid [2-(1-adamantylamino)-2-keto-ethyl] ester Formula: C20H27NO3S MolecularWeight: 361.49828

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)NC(=O)COC(=O)CCCC4=CC=CS4

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)NC(=O)COC(=O)CCCC4=CC=CS4

InChI

InChI=1S/C20H27NO3S/c22-18(13-24-19(23)5-1-3-17-4-2-6-25-17)21-20-10-14-7-15(11-20)9-16(8-14)12-20/h2,4,6,14-16H,1,3,5,7-13H2,(H,21,22)