2-(4-chlorophenyl)sulfanylethyl 2-(1-adamantylcarbonylamino)ethanoate

Systemtic Name: 2-(4-chlorophenyl)sulfanylethyl 2-(1-adamantylcarbonylamino)ethanoate Openeye Name: 2-(4-chlorophenyl)sulfanylethyl 2-(adamantane-1-carbonylamino)acetate CAS Name: 2-[[1-adamantyl(oxo)methyl]amino]acetic acid 2-[(4-chlorophenyl)thio]ethyl ester IUPAC Name: 2-(4-chlorophenyl)sulfanylethyl 2-(adamantane-1-carbonylamino)acetate Traditional Name: 2-(adamantane-1-carbonylamino)acetic acid 2-[(4-chlorophenyl)thio]ethyl ester Formula: C21H26ClNO3S MolecularWeight: 407.95404

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26ClNO3S/c22-17-1-3-18(4-2-17)27-6-5-26-19(24)13-23-20(25)21-10-14-7-15(11-21)9-16(8-14)12-21/h1-4,14-16H,5-13H2,(H,23,25)