[2-(1-adamantyl)-2-oxidanylidene-ethyl] 4-(methylsulfanylmethyl)benzoate

Systemtic Name: [2-(1-adamantyl)-2-oxidanylidene-ethyl] 4-(methylsulfanylmethyl)benzoate Openeye Name: [2-(1-adamantyl)-2-oxo-ethyl] 4-(methylsulfanylmethyl)benzoate CAS Name: 4-[(methylthio)methyl]benzoic acid [2-(1-adamantyl)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantyl)-2-oxoethyl] 4-(methylsulfanylmethyl)benzoate Traditional Name: 4-[(methylthio)methyl]benzoic acid [2-(1-adamantyl)-2-keto-ethyl] ester Formula: C21H26O3S MolecularWeight: 358.49434

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSCC1=CC=C(C=C1)C(=O)OCC(=O)C23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CSCC1=CC=C(C=C1)C(=O)OCC(=O)C23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C21H26O3S/c1-25-13-14-2-4-18(5-3-14)20(23)24-12-19(22)21-9-15-6-16(10-21)8-17(7-15)11-21/h2-5,15-17H,6-13H2,1H3