dimethyl 5-[2-(1-adamantylsulfanyl)ethanoylamino]benzene-1,3-dicarboxylate

Systemtic Name: dimethyl 5-[2-(1-adamantylsulfanyl)ethanoylamino]benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-[[2-(1-adamantylsulfanyl)acetyl]amino]benzene-1,3-dicarboxylate CAS Name: 5-[[2-(1-adamantylthio)-1-oxoethyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[[2-(1-adamantylsulfanyl)acetyl]amino]benzene-1,3-dicarboxylate Traditional Name: 5-[[2-(1-adamantylthio)acetyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester Formula: C22H27NO5S MolecularWeight: 417.51848

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27NO5S/c1-27-20(25)16-6-17(21(26)28-2)8-18(7-16)23-19(24)12-29-22-9-13-3-14(10-22)5-15(4-13)11-22/h6-8,13-15H,3-5,9-12H2,1-2H3,(H,23,24)