[2-[[(1R)-1-(1-adamantyl)ethyl]amino]-2-oxidanylidene-ethyl] 5-methyl-4-propyl-thiophene-2-carboxylate

Systemtic Name: [2-[[(1R)-1-(1-adamantyl)ethyl]amino]-2-oxidanylidene-ethyl] 5-methyl-4-propyl-thiophene-2-carboxylate Openeye Name: [2-[[(1R)-1-(1-adamantyl)ethyl]amino]-2-oxo-ethyl] 5-methyl-4-propyl-thiophene-2-carboxylate CAS Name: 5-methyl-4-propyl-2-thiophenecarboxylic acid [2-[[(1R)-1-(1-adamantyl)ethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[(1R)-1-(1-adamantyl)ethyl]amino]-2-oxoethyl] 5-methyl-4-propylthiophene-2-carboxylate Traditional Name: 5-methyl-4-propyl-thiophene-2-carboxylic acid [2-[[(1R)-1-(1-adamantyl)ethyl]amino]-2-keto-ethyl] ester Formula: C23H33NO3S MolecularWeight: 403.57802

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(SC(=C1)C(=O)OCC(=O)NC(C)C23CC4CC(C2)CC(C4)C3)C

Isomeric SMILES

CCCC1=C(SC(=C1)C(=O)OCC(=O)N[C@H](C)C23CC4CC(C2)CC(C4)C3)C

InChI

InChI=1S/C23H33NO3S/c1-4-5-19-9-20(28-14(19)2)22(26)27-13-21(25)24-15(3)23-10-16-6-17(11-23)8-18(7-16)12-23/h9,15-18H,4-8,10-13H2,1-3H3,(H,24,25)/t15-,16?,17?,18?,23?/m1/s1