2-(4-chlorophenyl)sulfanylethyl 2-[2-(1-adamantyl)ethanoylamino]ethanoate

Systemtic Name: 2-(4-chlorophenyl)sulfanylethyl 2-[2-(1-adamantyl)ethanoylamino]ethanoate Openeye Name: 2-(4-chlorophenyl)sulfanylethyl 2-[[2-(1-adamantyl)acetyl]amino]acetate CAS Name: 2-[[2-(1-adamantyl)-1-oxoethyl]amino]acetic acid 2-[(4-chlorophenyl)thio]ethyl ester IUPAC Name: 2-(4-chlorophenyl)sulfanylethyl 2-[[2-(1-adamantyl)acetyl]amino]acetate Traditional Name: 2-[[2-(1-adamantyl)acetyl]amino]acetic acid 2-[(4-chlorophenyl)thio]ethyl ester Formula: C22H28ClNO3S MolecularWeight: 421.98062

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)CC(=O)NCC(=O)OCCSC4=CC=C(C=C4)Cl

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)CC(=O)NCC(=O)OCCSC4=CC=C(C=C4)Cl

InChI

InChI=1S/C22H28ClNO3S/c23-18-1-3-19(4-2-18)28-6-5-27-21(26)14-24-20(25)13-22-10-15-7-16(11-22)9-17(8-15)12-22/h1-4,15-17H,5-14H2,(H,24,25)