methyl (Z)-3-(4,4-dimethyl-2,3-dihydrothiochromen-6-yl)but-2-enoate

Systemtic Name: methyl (Z)-3-(4,4-dimethyl-2,3-dihydrothiochromen-6-yl)but-2-enoate Openeye Name: methyl (Z)-3-(4,4-dimethylthiochroman-6-yl)but-2-enoate CAS Name: (Z)-3-(4,4-dimethyl-2,3-dihydro-1-benzothiopyran-6-yl)-2-butenoic acid methyl ester IUPAC Name: methyl (Z)-3-(4,4-dimethyl-2,3-dihydrothiochromen-6-yl)but-2-enoate Traditional Name: (Z)-3-(4,4-dimethylthiochroman-6-yl)but-2-enoic acid methyl ester Formula: C16H20O2S MolecularWeight: 276.3938

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC(=O)OC)C1=CC2=C(C=C1)SCCC2(C)C

Isomeric SMILES

C/C(=C/C(=O)OC)/C1=CC2=C(C=C1)SCCC2(C)C

InChI

InChI=1S/C16H20O2S/c1-11(9-15(17)18-4)12-5-6-14-13(10-12)16(2,3)7-8-19-14/h5-6,9-10H,7-8H2,1-4H3/b11-9-