5-[2-[(2R,3R,4S)-2,4-dimethyl-3-phenylsulfanyl-oxolan-2-yl]ethyl]-1,3-benzodioxole

Systemtic Name: 5-[2-[(2R,3R,4S)-2,4-dimethyl-3-phenylsulfanyl-oxolan-2-yl]ethyl]-1,3-benzodioxole Openeye Name: 5-[2-[(2R,3R,4S)-2,4-dimethyl-3-phenylsulfanyl-tetrahydrofuran-2-yl]ethyl]-1,3-benzodioxole CAS Name: 5-[2-[(2R,3R,4S)-2,4-dimethyl-3-(phenylthio)-2-oxolanyl]ethyl]-1,3-benzodioxole IUPAC Name: 5-[2-[(2R,3R,4S)-2,4-dimethyl-3-phenylsulfanyloxolan-2-yl]ethyl]-1,3-benzodioxole Traditional Name: 5-[2-[(2R,3R,4S)-2,4-dimethyl-3-(phenylthio)tetrahydrofuran-2-yl]ethyl]-1,3-benzodioxole Formula: C21H24O3S MolecularWeight: 356.47846

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Descriptors Computed from Structure

Canonical SMILES:

CC1COC(C1SC2=CC=CC=C2)(C)CCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

C[C@H]1CO[C@]([C@@H]1SC2=CC=CC=C2)(C)CCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C21H24O3S/c1-15-13-24-21(2,20(15)25-17-6-4-3-5-7-17)11-10-16-8-9-18-19(12-16)23-14-22-18/h3-9,12,15,20H,10-11,13-14H2,1-2H3/t15-,20+,21+/m0/s1