diethyl 4-oxidanyl-2-(2-phenylmethoxyphenyl)-2,4-dihydrothiochromene-3,3-dicarboxylate

Systemtic Name: diethyl 4-oxidanyl-2-(2-phenylmethoxyphenyl)-2,4-dihydrothiochromene-3,3-dicarboxylate Openeye Name: diethyl 2-(2-benzyloxyphenyl)-4-hydroxy-thiochromane-3,3-dicarboxylate CAS Name: 4-hydroxy-2-(2-phenylmethoxyphenyl)-2,4-dihydro-1-benzothiopyran-3,3-dicarboxylic acid diethyl ester IUPAC Name: diethyl 4-hydroxy-2-(2-phenylmethoxyphenyl)-2,4-dihydrothiochromene-3,3-dicarboxylate Traditional Name: 2-(2-benzoxyphenyl)-4-hydroxy-thiochroman-3,3-dicarboxylic acid diethyl ester Formula: C28H28O6S MolecularWeight: 492.58332

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(C(C2=CC=CC=C2SC1C3=CC=CC=C3OCC4=CC=CC=C4)O)C(=O)OCC

Isomeric SMILES

CCOC(=O)C1(C(C2=CC=CC=C2SC1C3=CC=CC=C3OCC4=CC=CC=C4)O)C(=O)OCC

InChI

InChI=1S/C28H28O6S/c1-3-32-26(30)28(27(31)33-4-2)24(29)21-15-9-11-17-23(21)35-25(28)20-14-8-10-16-22(20)34-18-19-12-6-5-7-13-19/h5-17,24-25,29H,3-4,18H2,1-2H3