[(2R)-1-(1-adamantylamino)-1-oxidanylidene-propan-2-yl] 4-oxidanylidene-4-thiophen-2-yl-butanoate

Systemtic Name: [(2R)-1-(1-adamantylamino)-1-oxidanylidene-propan-2-yl] 4-oxidanylidene-4-thiophen-2-yl-butanoate Openeye Name: [(1R)-2-(1-adamantylamino)-1-methyl-2-oxo-ethyl] 4-oxo-4-(2-thienyl)butanoate CAS Name: 4-oxo-4-thiophen-2-ylbutanoic acid [(2R)-1-(1-adamantylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(1-adamantylamino)-1-oxopropan-2-yl] 4-oxo-4-thiophen-2-ylbutanoate Traditional Name: 4-keto-4-(2-thienyl)butyric acid [(1R)-2-(1-adamantylamino)-2-keto-1-methyl-ethyl] ester Formula: C21H27NO4S MolecularWeight: 389.50838

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC12CC3CC(C1)CC(C3)C2)OC(=O)CCC(=O)C4=CC=CS4

Isomeric SMILES

C[C@H](C(=O)NC12CC3CC(C1)CC(C3)C2)OC(=O)CCC(=O)C4=CC=CS4

InChI

InChI=1S/C21H27NO4S/c1-13(26-19(24)5-4-17(23)18-3-2-6-27-18)20(25)22-21-10-14-7-15(11-21)9-16(8-14)12-21/h2-3,6,13-16H,4-5,7-12H2,1H3,(H,22,25)/t13-,14?,15?,16?,21?/m1/s1