ethyl 5-[2-(1-adamantylsulfanyl)ethanoylamino]-4-aminocarbonyl-2-methyl-furan-3-carboxylate

Systemtic Name: ethyl 5-[2-(1-adamantylsulfanyl)ethanoylamino]-4-aminocarbonyl-2-methyl-furan-3-carboxylate Openeye Name: ethyl 5-[[2-(1-adamantylsulfanyl)acetyl]amino]-4-carbamoyl-2-methyl-furan-3-carboxylate CAS Name: 5-[[2-(1-adamantylthio)-1-oxoethyl]amino]-4-carbamoyl-2-methyl-3-furancarboxylic acid ethyl ester IUPAC Name: ethyl 5-[[2-(1-adamantylsulfanyl)acetyl]amino]-4-carbamoyl-2-methylfuran-3-carboxylate Traditional Name: 5-[[2-(1-adamantylthio)acetyl]amino]-4-carbamoyl-2-methyl-furan-3-carboxylic acid ethyl ester Formula: C21H28N2O5S MolecularWeight: 420.52242

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(OC(=C1C(=O)N)NC(=O)CSC23CC4CC(C2)CC(C4)C3)C

Isomeric SMILES

CCOC(=O)C1=C(OC(=C1C(=O)N)NC(=O)CSC23CC4CC(C2)CC(C4)C3)C

InChI

InChI=1S/C21H28N2O5S/c1-3-27-20(26)16-11(2)28-19(17(16)18(22)25)23-15(24)10-29-21-7-12-4-13(8-21)6-14(5-12)9-21/h12-14H,3-10H2,1-2H3,(H2,22,25)(H,23,24)