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

Systemtic Name: ethyl 2-[2-(1-adamantylsulfanyl)ethanoylamino]-4-ethanoyl-5-methyl-furan-3-carboxylate Openeye Name: ethyl 4-acetyl-2-[[2-(1-adamantylsulfanyl)acetyl]amino]-5-methyl-furan-3-carboxylate CAS Name: 4-acetyl-2-[[2-(1-adamantylthio)-1-oxoethyl]amino]-5-methyl-3-furancarboxylic acid ethyl ester IUPAC Name: ethyl 4-acetyl-2-[[2-(1-adamantylsulfanyl)acetyl]amino]-5-methylfuran-3-carboxylate Traditional Name: 4-acetyl-2-[[2-(1-adamantylthio)acetyl]amino]-5-methyl-furan-3-carboxylic acid ethyl ester Formula: C22H29NO5S MolecularWeight: 419.53436

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H29NO5S/c1-4-27-21(26)19-18(12(2)24)13(3)28-20(19)23-17(25)11-29-22-8-14-5-15(9-22)7-16(6-14)10-22/h14-16H,4-11H2,1-3H3,(H,23,25)