(4-oxidanylidene-4-thiophen-2-yl-butyl) 2-[2-(1-adamantyl)ethanoylamino]ethanoate

Systemtic Name: (4-oxidanylidene-4-thiophen-2-yl-butyl) 2-[2-(1-adamantyl)ethanoylamino]ethanoate Openeye Name: [4-oxo-4-(2-thienyl)butyl] 2-[[2-(1-adamantyl)acetyl]amino]acetate CAS Name: 2-[[2-(1-adamantyl)-1-oxoethyl]amino]acetic acid (4-oxo-4-thiophen-2-ylbutyl) ester IUPAC Name: (4-oxo-4-thiophen-2-ylbutyl) 2-[[2-(1-adamantyl)acetyl]amino]acetate Traditional Name: 2-[[2-(1-adamantyl)acetyl]amino]acetic acid [4-keto-4-(2-thienyl)butyl] ester Formula: C22H29NO4S MolecularWeight: 403.53496

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)CC(=O)NCC(=O)OCCCC(=O)C4=CC=CS4

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)CC(=O)NCC(=O)OCCCC(=O)C4=CC=CS4

InChI

InChI=1S/C22H29NO4S/c24-18(19-4-2-6-28-19)3-1-5-27-21(26)14-23-20(25)13-22-10-15-7-16(11-22)9-17(8-15)12-22/h2,4,6,15-17H,1,3,5,7-14H2,(H,23,25)