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

Systemtic Name: [2-(1-adamantylamino)-2-oxidanylidene-ethyl] 2-acetamido-4,5-dimethyl-thiophene-3-carboxylate Openeye Name: [2-(1-adamantylamino)-2-oxo-ethyl] 2-acetamido-4,5-dimethyl-thiophene-3-carboxylate CAS Name: 2-acetamido-4,5-dimethyl-3-thiophenecarboxylic acid [2-(1-adamantylamino)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantylamino)-2-oxoethyl] 2-acetamido-4,5-dimethylthiophene-3-carboxylate Traditional Name: 2-acetamido-4,5-dimethyl-thiophene-3-carboxylic acid [2-(1-adamantylamino)-2-keto-ethyl] ester Formula: C21H28N2O4S MolecularWeight: 404.52302

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H28N2O4S/c1-11-12(2)28-19(22-13(3)24)18(11)20(26)27-10-17(25)23-21-7-14-4-15(8-21)6-16(5-14)9-21/h14-16H,4-10H2,1-3H3,(H,22,24)(H,23,25)