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

Systemtic Name: methyl 4-[2-(1-adamantylsulfanyl)ethanoylamino]benzoate Openeye Name: methyl 4-[[2-(1-adamantylsulfanyl)acetyl]amino]benzoate CAS Name: 4-[[2-(1-adamantylthio)-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-(1-adamantylsulfanyl)acetyl]amino]benzoate Traditional Name: 4-[[2-(1-adamantylthio)acetyl]amino]benzoic acid methyl ester Formula: C20H25NO3S MolecularWeight: 359.4824

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H25NO3S/c1-24-19(23)16-2-4-17(5-3-16)21-18(22)12-25-20-9-13-6-14(10-20)8-15(7-13)11-20/h2-5,13-15H,6-12H2,1H3,(H,21,22)