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

Systemtic Name: methyl 4-[(E)-2-(4,4-dimethyl-2,3-dihydrothiochromen-6-yl)prop-1-enyl]benzoate Openeye Name: methyl 4-[(E)-2-(4,4-dimethylthiochroman-6-yl)prop-1-enyl]benzoate CAS Name: 4-[(E)-2-(4,4-dimethyl-2,3-dihydro-1-benzothiopyran-6-yl)prop-1-enyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(E)-2-(4,4-dimethyl-2,3-dihydrothiochromen-6-yl)prop-1-enyl]benzoate Traditional Name: 4-[(E)-2-(4,4-dimethylthiochroman-6-yl)prop-1-enyl]benzoic acid methyl ester Formula: C22H24O2S MolecularWeight: 352.48976

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC1=CC=C(C=C1)C(=O)OC)C2=CC3=C(C=C2)SCCC3(C)C

Isomeric SMILES

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

InChI

InChI=1S/C22H24O2S/c1-15(13-16-5-7-17(8-6-16)21(23)24-4)18-9-10-20-19(14-18)22(2,3)11-12-25-20/h5-10,13-14H,11-12H2,1-4H3/b15-13+