dimethyl 2-[2-(1-adamantylsulfanyl)ethanoylamino]benzene-1,4-dicarboxylate

Systemtic Name: dimethyl 2-[2-(1-adamantylsulfanyl)ethanoylamino]benzene-1,4-dicarboxylate Openeye Name: dimethyl 2-[[2-(1-adamantylsulfanyl)acetyl]amino]benzene-1,4-dicarboxylate CAS Name: 2-[[2-(1-adamantylthio)-1-oxoethyl]amino]benzene-1,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 2-[[2-(1-adamantylsulfanyl)acetyl]amino]benzene-1,4-dicarboxylate Traditional Name: 2-[[2-(1-adamantylthio)acetyl]amino]benzene-1,4-dicarboxylic acid dimethyl ester Formula: C22H27NO5S MolecularWeight: 417.51848

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27NO5S/c1-27-20(25)16-3-4-17(21(26)28-2)18(8-16)23-19(24)12-29-22-9-13-5-14(10-22)7-15(6-13)11-22/h3-4,8,13-15H,5-7,9-12H2,1-2H3,(H,23,24)