[(2R)-1-(1-adamantylamino)-1-oxidanylidene-propan-2-yl] 2-(thiophen-2-ylmethylsulfanyl)ethanoate

Systemtic Name: [(2R)-1-(1-adamantylamino)-1-oxidanylidene-propan-2-yl] 2-(thiophen-2-ylmethylsulfanyl)ethanoate Openeye Name: [(1R)-2-(1-adamantylamino)-1-methyl-2-oxo-ethyl] 2-(2-thienylmethylsulfanyl)acetate CAS Name: 2-(thiophen-2-ylmethylthio)acetic acid [(2R)-1-(1-adamantylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(1-adamantylamino)-1-oxopropan-2-yl] 2-(thiophen-2-ylmethylsulfanyl)acetate Traditional Name: 2-(2-thenylthio)acetic acid [(1R)-2-(1-adamantylamino)-2-keto-1-methyl-ethyl] ester Formula: C20H27NO3S2 MolecularWeight: 393.56328

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC12CC3CC(C1)CC(C3)C2)OC(=O)CSCC4=CC=CS4

Isomeric SMILES

C[C@H](C(=O)NC12CC3CC(C1)CC(C3)C2)OC(=O)CSCC4=CC=CS4

InChI

InChI=1S/C20H27NO3S2/c1-13(24-18(22)12-25-11-17-3-2-4-26-17)19(23)21-20-8-14-5-15(9-20)7-16(6-14)10-20/h2-4,13-16H,5-12H2,1H3,(H,21,23)/t13-,14?,15?,16?,20?/m1/s1