[(2S)-1-(1-adamantylamino)-1-oxidanylidene-propan-2-yl] 4-thiophen-2-ylbutanoate

Systemtic Name: [(2S)-1-(1-adamantylamino)-1-oxidanylidene-propan-2-yl] 4-thiophen-2-ylbutanoate Openeye Name: [(1S)-2-(1-adamantylamino)-1-methyl-2-oxo-ethyl] 4-(2-thienyl)butanoate CAS Name: 4-thiophen-2-ylbutanoic acid [(2S)-1-(1-adamantylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(1-adamantylamino)-1-oxopropan-2-yl] 4-thiophen-2-ylbutanoate Traditional Name: 4-(2-thienyl)butyric acid [(1S)-2-(1-adamantylamino)-2-keto-1-methyl-ethyl] ester Formula: C21H29NO3S MolecularWeight: 375.52486

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC12CC3CC(C1)CC(C3)C2)OC(=O)CCCC4=CC=CS4

Isomeric SMILES

C[C@@H](C(=O)NC12CC3CC(C1)CC(C3)C2)OC(=O)CCCC4=CC=CS4

InChI

InChI=1S/C21H29NO3S/c1-14(25-19(23)6-2-4-18-5-3-7-26-18)20(24)22-21-11-15-8-16(12-21)10-17(9-15)13-21/h3,5,7,14-17H,2,4,6,8-13H2,1H3,(H,22,24)/t14-,15?,16?,17?,21?/m0/s1