[2-(1-adamantylamino)-2-oxidanylidene-ethyl] 2-[(4-methylphenyl)methylsulfanyl]ethanoate

Systemtic Name: [2-(1-adamantylamino)-2-oxidanylidene-ethyl] 2-[(4-methylphenyl)methylsulfanyl]ethanoate Openeye Name: [2-(1-adamantylamino)-2-oxo-ethyl] 2-(p-tolylmethylsulfanyl)acetate CAS Name: 2-[(4-methylphenyl)methylthio]acetic acid [2-(1-adamantylamino)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantylamino)-2-oxoethyl] 2-[(4-methylphenyl)methylsulfanyl]acetate Traditional Name: 2-[(4-methylbenzyl)thio]acetic acid [2-(1-adamantylamino)-2-keto-ethyl] ester Formula: C22H29NO3S MolecularWeight: 387.53556

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CSCC(=O)OCC(=O)NC23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CC1=CC=C(C=C1)CSCC(=O)OCC(=O)NC23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C22H29NO3S/c1-15-2-4-16(5-3-15)13-27-14-21(25)26-12-20(24)23-22-9-17-6-18(10-22)8-19(7-17)11-22/h2-5,17-19H,6-14H2,1H3,(H,23,24)