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

Systemtic Name: methyl 4-[(E)-3-(4,4-dimethyl-2,3-dihydrothiochromen-6-yl)-5-phenyl-pent-1-enyl]benzoate Openeye Name: methyl 4-[(E)-3-(4,4-dimethylthiochroman-6-yl)-5-phenyl-pent-1-enyl]benzoate CAS Name: 4-[(E)-3-(4,4-dimethyl-2,3-dihydro-1-benzothiopyran-6-yl)-5-phenylpent-1-enyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(E)-3-(4,4-dimethyl-2,3-dihydrothiochromen-6-yl)-5-phenylpent-1-enyl]benzoate Traditional Name: 4-[(E)-3-(4,4-dimethylthiochroman-6-yl)-5-phenyl-pent-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)C(CCC3=CC=CC=C3)C=CC4=CC=C(C=C4)C(=O)OC)C

Isomeric SMILES

CC1(CCSC2=C1C=C(C=C2)C(CCC3=CC=CC=C3)/C=C/C4=CC=C(C=C4)C(=O)OC)C

InChI

InChI=1S/C30H32O2S/c1-30(2)19-20-33-28-18-17-26(21-27(28)30)24(13-9-22-7-5-4-6-8-22)14-10-23-11-15-25(16-12-23)29(31)32-3/h4-8,10-12,14-18,21,24H,9,13,19-20H2,1-3H3/b14-10+