methyl 4-[(E)-2-(2,2,4,4-tetramethyl-3H-thiochromen-6-yl)prop-1-enyl]benzoate

Systemtic Name: methyl 4-[(E)-2-(2,2,4,4-tetramethyl-3H-thiochromen-6-yl)prop-1-enyl]benzoate Openeye Name: methyl 4-[(E)-2-(2,2,4,4-tetramethylthiochroman-6-yl)prop-1-enyl]benzoate CAS Name: 4-[(E)-2-(2,2,4,4-tetramethyl-3H-1-benzothiopyran-6-yl)prop-1-enyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(E)-2-(2,2,4,4-tetramethyl-3H-thiochromen-6-yl)prop-1-enyl]benzoate Traditional Name: 4-[(E)-2-(2,2,4,4-tetramethylthiochroman-6-yl)prop-1-enyl]benzoic acid methyl ester Formula: C24H28O2S MolecularWeight: 380.54292

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H28O2S/c1-16(13-17-7-9-18(10-8-17)22(25)26-6)19-11-12-21-20(14-19)23(2,3)15-24(4,5)27-21/h7-14H,15H2,1-6H3/b16-13+