diethyl 2-(2,2,4,4-tetramethyl-3H-thiochromen-6-yl)benzene-1,3-dicarboxylate

Systemtic Name: diethyl 2-(2,2,4,4-tetramethyl-3H-thiochromen-6-yl)benzene-1,3-dicarboxylate Openeye Name: diethyl 2-(2,2,4,4-tetramethylthiochroman-6-yl)benzene-1,3-dicarboxylate CAS Name: 2-(2,2,4,4-tetramethyl-3H-1-benzothiopyran-6-yl)benzene-1,3-dicarboxylic acid diethyl ester IUPAC Name: diethyl 2-(2,2,4,4-tetramethyl-3H-thiochromen-6-yl)benzene-1,3-dicarboxylate Traditional Name: 2-(2,2,4,4-tetramethylthiochroman-6-yl)benzene-1,3-dicarboxylic acid diethyl ester Formula: C25H30O4S MolecularWeight: 426.5683

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=CC=C1)C(=O)OCC)C2=CC3=C(C=C2)SC(CC3(C)C)(C)C

Isomeric SMILES

CCOC(=O)C1=C(C(=CC=C1)C(=O)OCC)C2=CC3=C(C=C2)SC(CC3(C)C)(C)C

InChI

InChI=1S/C25H30O4S/c1-7-28-22(26)17-10-9-11-18(23(27)29-8-2)21(17)16-12-13-20-19(14-16)24(3,4)15-25(5,6)30-20/h9-14H,7-8,15H2,1-6H3