methyl 3-(1-adamantyl)-4-(dimethylcarbamoylsulfanyl)benzoate

Systemtic Name: methyl 3-(1-adamantyl)-4-(dimethylcarbamoylsulfanyl)benzoate Openeye Name: methyl 3-(1-adamantyl)-4-(dimethylcarbamoylsulfanyl)benzoate CAS Name: 3-(1-adamantyl)-4-[[dimethylamino(oxo)methyl]thio]benzoic acid methyl ester IUPAC Name: methyl 3-(1-adamantyl)-4-(dimethylcarbamoylsulfanyl)benzoate Traditional Name: 3-(1-adamantyl)-4-(dimethylcarbamoylthio)benzoic acid methyl ester Formula: C21H27NO3S MolecularWeight: 373.50898

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(=O)SC1=C(C=C(C=C1)C(=O)OC)C23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CN(C)C(=O)SC1=C(C=C(C=C1)C(=O)OC)C23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C21H27NO3S/c1-22(2)20(24)26-18-5-4-16(19(23)25-3)9-17(18)21-10-13-6-14(11-21)8-15(7-13)12-21/h4-5,9,13-15H,6-8,10-12H2,1-3H3