[(2R)-1-(1-adamantylamino)-1-oxidanylidene-propan-2-yl] 2-acetamido-4,5-dimethyl-thiophene-3-carboxylate

Systemtic Name: [(2R)-1-(1-adamantylamino)-1-oxidanylidene-propan-2-yl] 2-acetamido-4,5-dimethyl-thiophene-3-carboxylate Openeye Name: [(1R)-2-(1-adamantylamino)-1-methyl-2-oxo-ethyl] 2-acetamido-4,5-dimethyl-thiophene-3-carboxylate CAS Name: 2-acetamido-4,5-dimethyl-3-thiophenecarboxylic acid [(2R)-1-(1-adamantylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(1-adamantylamino)-1-oxopropan-2-yl] 2-acetamido-4,5-dimethylthiophene-3-carboxylate Traditional Name: 2-acetamido-4,5-dimethyl-thiophene-3-carboxylic acid [(1R)-2-(1-adamantylamino)-2-keto-1-methyl-ethyl] ester Formula: C22H30N2O4S MolecularWeight: 418.5496

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)OC(C)C(=O)NC23CC4CC(C2)CC(C4)C3)NC(=O)C)C

Isomeric SMILES

CC1=C(SC(=C1C(=O)O[C@H](C)C(=O)NC23CC4CC(C2)CC(C4)C3)NC(=O)C)C

InChI

InChI=1S/C22H30N2O4S/c1-11-13(3)29-20(23-14(4)25)18(11)21(27)28-12(2)19(26)24-22-8-15-5-16(9-22)7-17(6-15)10-22/h12,15-17H,5-10H2,1-4H3,(H,23,25)(H,24,26)/t12-,15?,16?,17?,22?/m1/s1