[2-(1-adamantylmethylamino)-2-oxidanylidene-ethyl] 4-(5-methylthiophen-2-yl)-4-oxidanylidene-butanoate

Systemtic Name: [2-(1-adamantylmethylamino)-2-oxidanylidene-ethyl] 4-(5-methylthiophen-2-yl)-4-oxidanylidene-butanoate Openeye Name: [2-(1-adamantylmethylamino)-2-oxo-ethyl] 4-(5-methyl-2-thienyl)-4-oxo-butanoate CAS Name: 4-(5-methyl-2-thiophenyl)-4-oxobutanoic acid [2-(1-adamantylmethylamino)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantylmethylamino)-2-oxoethyl] 4-(5-methylthiophen-2-yl)-4-oxobutanoate Traditional Name: 4-keto-4-(5-methyl-2-thienyl)butyric acid [2-(1-adamantylmethylamino)-2-keto-ethyl] ester Formula: C22H29NO4S MolecularWeight: 403.53496

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(S1)C(=O)CCC(=O)OCC(=O)NCC23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CC1=CC=C(S1)C(=O)CCC(=O)OCC(=O)NCC23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C22H29NO4S/c1-14-2-4-19(28-14)18(24)3-5-21(26)27-12-20(25)23-13-22-9-15-6-16(10-22)8-17(7-15)11-22/h2,4,15-17H,3,5-13H2,1H3,(H,23,25)