(3-ethoxycarbonylphenyl) 2,2,4,4-tetramethyl-3H-thiochromene-6-carboxylate

Systemtic Name: (3-ethoxycarbonylphenyl) 2,2,4,4-tetramethyl-3H-thiochromene-6-carboxylate Openeye Name: (3-ethoxycarbonylphenyl) 2,2,4,4-tetramethylthiochromane-6-carboxylate CAS Name: 2,2,4,4-tetramethyl-3H-1-benzothiopyran-6-carboxylic acid (3-ethoxycarbonylphenyl) ester IUPAC Name: (3-ethoxycarbonylphenyl) 2,2,4,4-tetramethyl-3H-thiochromene-6-carboxylate Traditional Name: 2,2,4,4-tetramethylthiochroman-6-carboxylic acid (3-carbethoxyphenyl) ester Formula: C23H26O4S MolecularWeight: 398.51514

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H26O4S/c1-6-26-20(24)15-8-7-9-17(12-15)27-21(25)16-10-11-19-18(13-16)22(2,3)14-23(4,5)28-19/h7-13H,6,14H2,1-5H3