methyl 3-(4,4-dimethyl-2,3-dihydrothiochromen-6-yl)-4-[(E)-5-phenylpent-1-enyl]benzoate

Systemtic Name: methyl 3-(4,4-dimethyl-2,3-dihydrothiochromen-6-yl)-4-[(E)-5-phenylpent-1-enyl]benzoate Openeye Name: methyl 3-(4,4-dimethylthiochroman-6-yl)-4-[(E)-5-phenylpent-1-enyl]benzoate CAS Name: 3-(4,4-dimethyl-2,3-dihydro-1-benzothiopyran-6-yl)-4-[(E)-5-phenylpent-1-enyl]benzoic acid methyl ester IUPAC Name: methyl 3-(4,4-dimethyl-2,3-dihydrothiochromen-6-yl)-4-[(E)-5-phenylpent-1-enyl]benzoate Traditional Name: 3-(4,4-dimethylthiochroman-6-yl)-4-[(E)-5-phenylpent-1-enyl]benzoic acid methyl ester Formula: C30H32O2S MolecularWeight: 456.63888

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCSC2=C1C=C(C=C2)C3=C(C=CC(=C3)C(=O)OC)C=CCCCC4=CC=CC=C4)C

Isomeric SMILES

CC1(CCSC2=C1C=C(C=C2)C3=C(C=CC(=C3)C(=O)OC)/C=C/CCCC4=CC=CC=C4)C

InChI

InChI=1S/C30H32O2S/c1-30(2)18-19-33-28-17-16-24(21-27(28)30)26-20-25(29(31)32-3)15-14-23(26)13-9-5-8-12-22-10-6-4-7-11-22/h4,6-7,9-11,13-17,20-21H,5,8,12,18-19H2,1-3H3/b13-9+