[2-(1-adamantylamino)-2-oxidanylidene-ethyl] 2-ethylsulfanylbenzoate

Systemtic Name: [2-(1-adamantylamino)-2-oxidanylidene-ethyl] 2-ethylsulfanylbenzoate Openeye Name: [2-(1-adamantylamino)-2-oxo-ethyl] 2-ethylsulfanylbenzoate CAS Name: 2-(ethylthio)benzoic acid [2-(1-adamantylamino)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantylamino)-2-oxoethyl] 2-ethylsulfanylbenzoate Traditional Name: 2-(ethylthio)benzoic acid [2-(1-adamantylamino)-2-keto-ethyl] ester Formula: C21H27NO3S MolecularWeight: 373.50898

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=CC=CC=C1C(=O)OCC(=O)NC23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CCSC1=CC=CC=C1C(=O)OCC(=O)NC23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C21H27NO3S/c1-2-26-18-6-4-3-5-17(18)20(24)25-13-19(23)22-21-10-14-7-15(11-21)9-16(8-14)12-21/h3-6,14-16H,2,7-13H2,1H3,(H,22,23)