[2-(1-adamantyl)-2-oxidanylidene-ethyl] 2-[2-(dimethylamino)-2-oxidanylidene-ethyl]sulfanylbenzoate

Systemtic Name: [2-(1-adamantyl)-2-oxidanylidene-ethyl] 2-[2-(dimethylamino)-2-oxidanylidene-ethyl]sulfanylbenzoate Openeye Name: [2-(1-adamantyl)-2-oxo-ethyl] 2-[2-(dimethylamino)-2-oxo-ethyl]sulfanylbenzoate CAS Name: 2-[[2-(dimethylamino)-2-oxoethyl]thio]benzoic acid [2-(1-adamantyl)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantyl)-2-oxoethyl] 2-[2-(dimethylamino)-2-oxoethyl]sulfanylbenzoate Traditional Name: 2-[[2-(dimethylamino)-2-keto-ethyl]thio]benzoic acid [2-(1-adamantyl)-2-keto-ethyl] ester Formula: C23H29NO4S MolecularWeight: 415.54566

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(=O)CSC1=CC=CC=C1C(=O)OCC(=O)C23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CN(C)C(=O)CSC1=CC=CC=C1C(=O)OCC(=O)C23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C23H29NO4S/c1-24(2)21(26)14-29-19-6-4-3-5-18(19)22(27)28-13-20(25)23-10-15-7-16(11-23)9-17(8-15)12-23/h3-6,15-17H,7-14H2,1-2H3