tert-butyl 2-[(2R,5S)-5-[(2-methylphenyl)sulfanylmethyl]oxolan-2-yl]ethanoate

Systemtic Name: tert-butyl 2-[(2R,5S)-5-[(2-methylphenyl)sulfanylmethyl]oxolan-2-yl]ethanoate Openeye Name: tert-butyl 2-[(2R,5S)-5-(o-tolylsulfanylmethyl)tetrahydrofuran-2-yl]acetate CAS Name: 2-[(2R,5S)-5-[[(2-methylphenyl)thio]methyl]-2-oxolanyl]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[(2R,5S)-5-[(2-methylphenyl)sulfanylmethyl]oxolan-2-yl]acetate Traditional Name: 2-[(2R,5S)-5-[(o-tolylthio)methyl]tetrahydrofuran-2-yl]acetic acid tert-butyl ester Formula: C18H26O3S MolecularWeight: 322.46224

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1SCC2CCC(O2)CC(=O)OC(C)(C)C

Isomeric SMILES

CC1=CC=CC=C1SC[C@@H]2CC[C@@H](O2)CC(=O)OC(C)(C)C

InChI

InChI=1S/C18H26O3S/c1-13-7-5-6-8-16(13)22-12-15-10-9-14(20-15)11-17(19)21-18(2,3)4/h5-8,14-15H,9-12H2,1-4H3/t14-,15+/m1/s1