[(2R)-1-(1-adamantylamino)-1-oxidanylidene-propan-2-yl] 3-thiophen-2-ylpropanoate

Systemtic Name: [(2R)-1-(1-adamantylamino)-1-oxidanylidene-propan-2-yl] 3-thiophen-2-ylpropanoate Openeye Name: [(1R)-2-(1-adamantylamino)-1-methyl-2-oxo-ethyl] 3-(2-thienyl)propanoate CAS Name: 3-thiophen-2-ylpropanoic acid [(2R)-1-(1-adamantylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(1-adamantylamino)-1-oxopropan-2-yl] 3-thiophen-2-ylpropanoate Traditional Name: 3-(2-thienyl)propionic acid [(1R)-2-(1-adamantylamino)-2-keto-1-methyl-ethyl] ester Formula: C20H27NO3S MolecularWeight: 361.49828

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC12CC3CC(C1)CC(C3)C2)OC(=O)CCC4=CC=CS4

Isomeric SMILES

C[C@H](C(=O)NC12CC3CC(C1)CC(C3)C2)OC(=O)CCC4=CC=CS4

InChI

InChI=1S/C20H27NO3S/c1-13(24-18(22)5-4-17-3-2-6-25-17)19(23)21-20-10-14-7-15(11-20)9-16(8-14)12-20/h2-3,6,13-16H,4-5,7-12H2,1H3,(H,21,23)/t13-,14?,15?,16?,20?/m1/s1