ethyl 4-[(E)-2-(2-octyl-3,4-dihydro-2H-thiochromen-6-yl)prop-1-enyl]benzoate

Systemtic Name: ethyl 4-[(E)-2-(2-octyl-3,4-dihydro-2H-thiochromen-6-yl)prop-1-enyl]benzoate Openeye Name: ethyl 4-[(E)-2-(2-octylthiochroman-6-yl)prop-1-enyl]benzoate CAS Name: 4-[(E)-2-(2-octyl-3,4-dihydro-2H-1-benzothiopyran-6-yl)prop-1-enyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[(E)-2-(2-octyl-3,4-dihydro-2H-thiochromen-6-yl)prop-1-enyl]benzoate Traditional Name: 4-[(E)-2-(2-octylthiochroman-6-yl)prop-1-enyl]benzoic acid ethyl ester Formula: C29H38O2S MolecularWeight: 450.67582

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1CCC2=C(S1)C=CC(=C2)C(=CC3=CC=C(C=C3)C(=O)OCC)C

Isomeric SMILES

CCCCCCCCC1CCC2=C(S1)C=CC(=C2)/C(=C/C3=CC=C(C=C3)C(=O)OCC)/C

InChI

InChI=1S/C29H38O2S/c1-4-6-7-8-9-10-11-27-18-16-26-21-25(17-19-28(26)32-27)22(3)20-23-12-14-24(15-13-23)29(30)31-5-2/h12-15,17,19-21,27H,4-11,16,18H2,1-3H3/b22-20+