methyl 4-[[2-(1-adamantylsulfanyl)ethanoylamino]methyl]benzoate

Systemtic Name: methyl 4-[[2-(1-adamantylsulfanyl)ethanoylamino]methyl]benzoate Openeye Name: methyl 4-[[[2-(1-adamantylsulfanyl)acetyl]amino]methyl]benzoate CAS Name: 4-[[[2-(1-adamantylthio)-1-oxoethyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[[2-(1-adamantylsulfanyl)acetyl]amino]methyl]benzoate Traditional Name: 4-[[[2-(1-adamantylthio)acetyl]amino]methyl]benzoic acid methyl ester Formula: C21H27NO3S MolecularWeight: 373.50898

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CNC(=O)CSC23CC4CC(C2)CC(C4)C3

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CNC(=O)CSC23CC4CC(C2)CC(C4)C3

InChI

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