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

Systemtic Name: methyl 3-(4,4-dimethyl-2,3-dihydrothiochromen-6-yl)-4-[(E)-4-phenylbut-1-enyl]benzoate Openeye Name: methyl 3-(4,4-dimethylthiochroman-6-yl)-4-[(E)-4-phenylbut-1-enyl]benzoate CAS Name: 3-(4,4-dimethyl-2,3-dihydro-1-benzothiopyran-6-yl)-4-[(E)-4-phenylbut-1-enyl]benzoic acid methyl ester IUPAC Name: methyl 3-(4,4-dimethyl-2,3-dihydrothiochromen-6-yl)-4-[(E)-4-phenylbut-1-enyl]benzoate Traditional Name: 3-(4,4-dimethylthiochroman-6-yl)-4-[(E)-4-phenylbut-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)C3=C(C=CC(=C3)C(=O)OC)C=CCCC4=CC=CC=C4)C

Isomeric SMILES

CC1(CCSC2=C1C=C(C=C2)C3=C(C=CC(=C3)C(=O)OC)/C=C/CCC4=CC=CC=C4)C

InChI

InChI=1S/C29H30O2S/c1-29(2)17-18-32-27-16-15-23(20-26(27)29)25-19-24(28(30)31-3)14-13-22(25)12-8-7-11-21-9-5-4-6-10-21/h4-6,8-10,12-16,19-20H,7,11,17-18H2,1-3H3/b12-8+