ethyl 6-[(E)-2-(4,4-dimethyl-2,3-dihydrothiochromen-6-yl)ethenyl]pyridine-3-carboxylate

Systemtic Name: ethyl 6-[(E)-2-(4,4-dimethyl-2,3-dihydrothiochromen-6-yl)ethenyl]pyridine-3-carboxylate Openeye Name: ethyl 6-[(E)-2-(4,4-dimethylthiochroman-6-yl)vinyl]pyridine-3-carboxylate CAS Name: 6-[(E)-2-(4,4-dimethyl-2,3-dihydro-1-benzothiopyran-6-yl)ethenyl]-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 6-[(E)-2-(4,4-dimethyl-2,3-dihydrothiochromen-6-yl)ethenyl]pyridine-3-carboxylate Traditional Name: 6-[(E)-2-(4,4-dimethylthiochroman-6-yl)vinyl]nicotinic acid ethyl ester Formula: C21H23NO2S MolecularWeight: 353.47782

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(C=C1)C=CC2=CC3=C(C=C2)SCCC3(C)C

Isomeric SMILES

CCOC(=O)C1=CN=C(C=C1)/C=C/C2=CC3=C(C=C2)SCCC3(C)C

InChI

InChI=1S/C21H23NO2S/c1-4-24-20(23)16-7-9-17(22-14-16)8-5-15-6-10-19-18(13-15)21(2,3)11-12-25-19/h5-10,13-14H,4,11-12H2,1-3H3/b8-5+