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

Systemtic Name: [2-(1-adamantyl)-2-oxidanylidene-ethyl] 2-[2-(2-methoxyethylamino)-2-oxidanylidene-ethyl]sulfanylbenzoate Openeye Name: [2-(1-adamantyl)-2-oxo-ethyl] 2-[2-(2-methoxyethylamino)-2-oxo-ethyl]sulfanylbenzoate CAS Name: 2-[[2-(2-methoxyethylamino)-2-oxoethyl]thio]benzoic acid [2-(1-adamantyl)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantyl)-2-oxoethyl] 2-[2-(2-methoxyethylamino)-2-oxoethyl]sulfanylbenzoate Traditional Name: 2-[[2-keto-2-(2-methoxyethylamino)ethyl]thio]benzoic acid [2-(1-adamantyl)-2-keto-ethyl] ester Formula: C24H31NO5S MolecularWeight: 445.57164

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H31NO5S/c1-29-7-6-25-22(27)15-31-20-5-3-2-4-19(20)23(28)30-14-21(26)24-11-16-8-17(12-24)10-18(9-16)13-24/h2-5,16-18H,6-15H2,1H3,(H,25,27)