[2-(1-adamantylamino)-2-oxidanylidene-ethyl] 2-[(2-chlorophenyl)methylsulfanyl]ethanoate

Systemtic Name: [2-(1-adamantylamino)-2-oxidanylidene-ethyl] 2-[(2-chlorophenyl)methylsulfanyl]ethanoate Openeye Name: [2-(1-adamantylamino)-2-oxo-ethyl] 2-[(2-chlorophenyl)methylsulfanyl]acetate CAS Name: 2-[(2-chlorophenyl)methylthio]acetic acid [2-(1-adamantylamino)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantylamino)-2-oxoethyl] 2-[(2-chlorophenyl)methylsulfanyl]acetate Traditional Name: 2-[(2-chlorobenzyl)thio]acetic acid [2-(1-adamantylamino)-2-keto-ethyl] ester Formula: C21H26ClNO3S MolecularWeight: 407.95404

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)NC(=O)COC(=O)CSCC4=CC=CC=C4Cl

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)NC(=O)COC(=O)CSCC4=CC=CC=C4Cl

InChI

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