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

Systemtic Name: methyl 4-[(E)-3-(4,4-dimethyl-2,3-dihydrothiochromen-6-yl)-4-phenyl-but-1-enyl]benzoate Openeye Name: methyl 4-[(E)-3-(4,4-dimethylthiochroman-6-yl)-4-phenyl-but-1-enyl]benzoate CAS Name: 4-[(E)-3-(4,4-dimethyl-2,3-dihydro-1-benzothiopyran-6-yl)-4-phenylbut-1-enyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(E)-3-(4,4-dimethyl-2,3-dihydrothiochromen-6-yl)-4-phenylbut-1-enyl]benzoate Traditional Name: 4-[(E)-3-(4,4-dimethylthiochroman-6-yl)-4-phenyl-but-1-enyl]benzoic acid methyl ester Formula: C29H30O2S MolecularWeight: 442.6123

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCSC2=C1C=C(C=C2)C(CC3=CC=CC=C3)C=CC4=CC=C(C=C4)C(=O)OC)C

Isomeric SMILES

CC1(CCSC2=C1C=C(C=C2)C(CC3=CC=CC=C3)/C=C/C4=CC=C(C=C4)C(=O)OC)C

InChI

InChI=1S/C29H30O2S/c1-29(2)17-18-32-27-16-15-25(20-26(27)29)24(19-22-7-5-4-6-8-22)14-11-21-9-12-23(13-10-21)28(30)31-3/h4-16,20,24H,17-19H2,1-3H3/b14-11+