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

Systemtic Name: [2-[[(1R)-1-(1-adamantyl)ethyl]amino]-2-oxidanylidene-ethyl] 5-ethyl-4-methyl-thiophene-2-carboxylate Openeye Name: [2-[[(1R)-1-(1-adamantyl)ethyl]amino]-2-oxo-ethyl] 5-ethyl-4-methyl-thiophene-2-carboxylate CAS Name: 5-ethyl-4-methyl-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-ethyl-4-methylthiophene-2-carboxylate Traditional Name: 5-ethyl-4-methyl-thiophene-2-carboxylic acid [2-[[(1R)-1-(1-adamantyl)ethyl]amino]-2-keto-ethyl] ester Formula: C22H31NO3S MolecularWeight: 389.55144

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C(S1)C(=O)OCC(=O)NC(C)C23CC4CC(C2)CC(C4)C3)C

Isomeric SMILES

CCC1=C(C=C(S1)C(=O)OCC(=O)N[C@H](C)C23CC4CC(C2)CC(C4)C3)C

InChI

InChI=1S/C22H31NO3S/c1-4-18-13(2)5-19(27-18)21(25)26-12-20(24)23-14(3)22-9-15-6-16(10-22)8-17(7-15)11-22/h5,14-17H,4,6-12H2,1-3H3,(H,23,24)/t14-,15?,16?,17?,22?/m1/s1