(1S,4S)-1-[(4-tert-butylphenyl)sulfanylmethyl]-4-methoxy-1,4-dimethyl-2,3-benzodioxine

Systemtic Name: (1S,4S)-1-[(4-tert-butylphenyl)sulfanylmethyl]-4-methoxy-1,4-dimethyl-2,3-benzodioxine Openeye Name: (1S,4S)-1-[(4-tert-butylphenyl)sulfanylmethyl]-4-methoxy-1,4-dimethyl-2,3-benzodioxine CAS Name: (1S,4S)-1-[[(4-tert-butylphenyl)thio]methyl]-4-methoxy-1,4-dimethyl-2,3-benzodioxin IUPAC Name: (1S,4S)-1-[(4-tert-butylphenyl)sulfanylmethyl]-4-methoxy-1,4-dimethyl-2,3-benzodioxine Traditional Name: (1S,4S)-1-[[(4-tert-butylphenyl)thio]methyl]-4-methoxy-1,4-dimethyl-2,3-benzodioxin Formula: C22H28O3S MolecularWeight: 372.52092

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C2=CC=CC=C2C(OO1)(C)OC)CSC3=CC=C(C=C3)C(C)(C)C

Isomeric SMILES

C[C@]1(C2=CC=CC=C2[C@@](OO1)(C)OC)CSC3=CC=C(C=C3)C(C)(C)C

InChI

InChI=1S/C22H28O3S/c1-20(2,3)16-11-13-17(14-12-16)26-15-21(4)18-9-7-8-10-19(18)22(5,23-6)25-24-21/h7-14H,15H2,1-6H3/t21-,22+/m1/s1