[(E)-1-acetamido-1-(1-adamantylsulfanyl)-6-oxidanylidene-hex-3-en-2-yl] ethanoate

Systemtic Name: [(E)-1-acetamido-1-(1-adamantylsulfanyl)-6-oxidanylidene-hex-3-en-2-yl] ethanoate Openeye Name: [(E)-1-[acetamido(1-adamantylsulfanyl)methyl]-5-oxo-pent-2-enyl] acetate CAS Name: acetic acid [(E)-1-acetamido-1-(1-adamantylthio)-6-oxohex-3-en-2-yl] ester IUPAC Name: [(E)-1-acetamido-1-(1-adamantylsulfanyl)-6-oxohex-3-en-2-yl] acetate Traditional Name: acetic acid [(E)-1-[acetamido-(1-adamantylthio)methyl]-5-keto-pent-2-enyl] ester Formula: C20H29NO4S MolecularWeight: 379.51356

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(C(C=CCC=O)OC(=O)C)SC12CC3CC(C1)CC(C3)C2

Isomeric SMILES

CC(=O)NC(C(/C=C/CC=O)OC(=O)C)SC12CC3CC(C1)CC(C3)C2

InChI

InChI=1S/C20H29NO4S/c1-13(23)21-19(18(25-14(2)24)5-3-4-6-22)26-20-10-15-7-16(11-20)9-17(8-15)12-20/h3,5-6,15-19H,4,7-12H2,1-2H3,(H,21,23)/b5-3+