[(Z)-2-(4,4-dimethyl-2,3-dihydrothiochromen-6-yl)prop-1-enyl] benzoate

Systemtic Name: [(Z)-2-(4,4-dimethyl-2,3-dihydrothiochromen-6-yl)prop-1-enyl] benzoate Openeye Name: [(Z)-2-(4,4-dimethylthiochroman-6-yl)prop-1-enyl] benzoate CAS Name: benzoic acid [(Z)-2-(4,4-dimethyl-2,3-dihydro-1-benzothiopyran-6-yl)prop-1-enyl] ester IUPAC Name: [(Z)-2-(4,4-dimethyl-2,3-dihydrothiochromen-6-yl)prop-1-enyl] benzoate Traditional Name: benzoic acid [(Z)-2-(4,4-dimethylthiochroman-6-yl)prop-1-enyl] ester Formula: C21H22O2S MolecularWeight: 338.46318

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Descriptors Computed from Structure

Canonical SMILES:

CC(=COC(=O)C1=CC=CC=C1)C2=CC3=C(C=C2)SCCC3(C)C

Isomeric SMILES

C/C(=C/OC(=O)C1=CC=CC=C1)/C2=CC3=C(C=C2)SCCC3(C)C

InChI

InChI=1S/C21H22O2S/c1-15(14-23-20(22)16-7-5-4-6-8-16)17-9-10-19-18(13-17)21(2,3)11-12-24-19/h4-10,13-14H,11-12H2,1-3H3/b15-14-