[2-[(3-methylsulfanylphenyl)amino]-2-oxidanylidene-ethyl] 2-(1-adamantyl)ethanoate

Systemtic Name: [2-[(3-methylsulfanylphenyl)amino]-2-oxidanylidene-ethyl] 2-(1-adamantyl)ethanoate Openeye Name: [2-(3-methylsulfanylanilino)-2-oxo-ethyl] 2-(1-adamantyl)acetate CAS Name: 2-(1-adamantyl)acetic acid [2-[3-(methylthio)anilino]-2-oxoethyl] ester IUPAC Name: [2-(3-methylsulfanylanilino)-2-oxoethyl] 2-(1-adamantyl)acetate Traditional Name: 2-(1-adamantyl)acetic acid [2-keto-2-[3-(methylthio)anilino]ethyl] ester Formula: C21H27NO3S MolecularWeight: 373.50898

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC(=C1)NC(=O)COC(=O)CC23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CSC1=CC=CC(=C1)NC(=O)COC(=O)CC23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C21H27NO3S/c1-26-18-4-2-3-17(8-18)22-19(23)13-25-20(24)12-21-9-14-5-15(10-21)7-16(6-14)11-21/h2-4,8,14-16H,5-7,9-13H2,1H3,(H,22,23)