[(E,1S,2R)-1-acetamido-1-(1-adamantylsulfanyl)-5-oxidanylidene-pent-3-en-2-yl] ethanoate

Systemtic Name: [(E,1S,2R)-1-acetamido-1-(1-adamantylsulfanyl)-5-oxidanylidene-pent-3-en-2-yl] ethanoate Openeye Name: [(E,1R)-1-[(S)-acetamido(1-adamantylsulfanyl)methyl]-4-oxo-but-2-enyl] acetate CAS Name: acetic acid [(E,1S,2R)-1-acetamido-1-(1-adamantylthio)-5-oxopent-3-en-2-yl] ester IUPAC Name: [(E,1S,2R)-1-acetamido-1-(1-adamantylsulfanyl)-5-oxopent-3-en-2-yl] acetate Traditional Name: acetic acid [(E,1R)-1-[(S)-acetamido-(1-adamantylthio)methyl]-4-keto-but-2-enyl] ester Formula: C19H27NO4S MolecularWeight: 365.48698

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC(=O)N[C@H]([C@@H](/C=C/C=O)OC(=O)C)SC12CC3CC(C1)CC(C3)C2

InChI

InChI=1S/C19H27NO4S/c1-12(22)20-18(17(4-3-5-21)24-13(2)23)25-19-9-14-6-15(10-19)8-16(7-14)11-19/h3-5,14-18H,6-11H2,1-2H3,(H,20,22)/b4-3+/t14?,15?,16?,17-,18+,19?/m1/s1