[2-(1-adamantyl)-2-oxidanylidene-ethyl] 2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]benzoate

Systemtic Name: [2-(1-adamantyl)-2-oxidanylidene-ethyl] 2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]benzoate Openeye Name: [2-(1-adamantyl)-2-oxo-ethyl] 2-[(2-methylthiazol-4-yl)methylsulfanyl]benzoate CAS Name: 2-[(2-methyl-4-thiazolyl)methylthio]benzoic acid [2-(1-adamantyl)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantyl)-2-oxoethyl] 2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]benzoate Traditional Name: 2-[(2-methylthiazol-4-yl)methylthio]benzoic acid [2-(1-adamantyl)-2-keto-ethyl] ester Formula: C24H27NO3S2 MolecularWeight: 441.60608

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CS1)CSC2=CC=CC=C2C(=O)OCC(=O)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CC1=NC(=CS1)CSC2=CC=CC=C2C(=O)OCC(=O)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C24H27NO3S2/c1-15-25-19(13-29-15)14-30-21-5-3-2-4-20(21)23(27)28-12-22(26)24-9-16-6-17(10-24)8-18(7-16)11-24/h2-5,13,16-18H,6-12,14H2,1H3