[(5S)-2-(1-adamantylimino)-1,3-oxathiolan-5-yl]methyl benzoate

Systemtic Name: [(5S)-2-(1-adamantylimino)-1,3-oxathiolan-5-yl]methyl benzoate Openeye Name: [(5S)-2-(1-adamantylimino)-1,3-oxathiolan-5-yl]methyl benzoate CAS Name: benzoic acid [(5S)-2-(1-adamantylimino)-1,3-oxathiolan-5-yl]methyl ester IUPAC Name: [(5S)-2-(1-adamantylimino)-1,3-oxathiolan-5-yl]methyl benzoate Traditional Name: benzoic acid [(5S)-2-(1-adamantylimino)-1,3-oxathiolan-5-yl]methyl ester Formula: C21H25NO3S MolecularWeight: 371.4931

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)N=C4OC(CS4)COC(=O)C5=CC=CC=C5

Isomeric SMILES

C1[C@@H](OC(=NC23CC4CC(C2)CC(C4)C3)S1)COC(=O)C5=CC=CC=C5

InChI

InChI=1S/C21H25NO3S/c23-19(17-4-2-1-3-5-17)24-12-18-13-26-20(25-18)22-21-9-14-6-15(10-21)8-16(7-14)11-21/h1-5,14-16,18H,6-13H2/t14?,15?,16?,18-,21?/m0/s1