[2-[(2-methylsulfanylphenyl)amino]-2-oxidanylidene-ethyl] 3-(3,4-dimethylphenyl)adamantane-1-carboxylate

Systemtic Name: [2-[(2-methylsulfanylphenyl)amino]-2-oxidanylidene-ethyl] 3-(3,4-dimethylphenyl)adamantane-1-carboxylate Openeye Name: [2-(2-methylsulfanylanilino)-2-oxo-ethyl] 3-(3,4-dimethylphenyl)adamantane-1-carboxylate CAS Name: 3-(3,4-dimethylphenyl)-1-adamantanecarboxylic acid [2-[2-(methylthio)anilino]-2-oxoethyl] ester IUPAC Name: [2-(2-methylsulfanylanilino)-2-oxoethyl] 3-(3,4-dimethylphenyl)adamantane-1-carboxylate Traditional Name: 3-(3,4-dimethylphenyl)adamantane-1-carboxylic acid [2-keto-2-[2-(methylthio)anilino]ethyl] ester Formula: C28H33NO3S MolecularWeight: 463.63152

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C23CC4CC(C2)CC(C4)(C3)C(=O)OCC(=O)NC5=CC=CC=C5SC)C

Isomeric SMILES

CC1=C(C=C(C=C1)C23CC4CC(C2)CC(C4)(C3)C(=O)OCC(=O)NC5=CC=CC=C5SC)C

InChI

InChI=1S/C28H33NO3S/c1-18-8-9-22(10-19(18)2)27-12-20-11-21(13-27)15-28(14-20,17-27)26(31)32-16-25(30)29-23-6-4-5-7-24(23)33-3/h4-10,20-21H,11-17H2,1-3H3,(H,29,30)