[2-(1-adamantylmethylamino)-2-oxidanylidene-ethyl] 4-methylsulfanylbenzoate

Systemtic Name: [2-(1-adamantylmethylamino)-2-oxidanylidene-ethyl] 4-methylsulfanylbenzoate Openeye Name: [2-(1-adamantylmethylamino)-2-oxo-ethyl] 4-methylsulfanylbenzoate CAS Name: 4-(methylthio)benzoic acid [2-(1-adamantylmethylamino)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantylmethylamino)-2-oxoethyl] 4-methylsulfanylbenzoate Traditional Name: 4-(methylthio)benzoic acid [2-(1-adamantylmethylamino)-2-keto-ethyl] ester Formula: C21H27NO3S MolecularWeight: 373.50898

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)C(=O)OCC(=O)NCC23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CSC1=CC=C(C=C1)C(=O)OCC(=O)NCC23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C21H27NO3S/c1-26-18-4-2-17(3-5-18)20(24)25-12-19(23)22-13-21-9-14-6-15(10-21)8-16(7-14)11-21/h2-5,14-16H,6-13H2,1H3,(H,22,23)