diethyl (5R,6R)-1,3-diphenyl-4,5,6,7-tetrahydro-2-benzothiophene-5,6-dicarboxylate

Systemtic Name: diethyl (5R,6R)-1,3-diphenyl-4,5,6,7-tetrahydro-2-benzothiophene-5,6-dicarboxylate Openeye Name: diethyl (5R,6R)-1,3-diphenyl-4,5,6,7-tetrahydro-2-benzothiophene-5,6-dicarboxylate CAS Name: (5R,6R)-1,3-diphenyl-4,5,6,7-tetrahydro-2-benzothiophene-5,6-dicarboxylic acid diethyl ester IUPAC Name: diethyl (5R,6R)-1,3-diphenyl-4,5,6,7-tetrahydro-2-benzothiophene-5,6-dicarboxylate Traditional Name: (5R,6R)-1,3-diphenyl-4,5,6,7-tetrahydroisobenzothiophene-5,6-dicarboxylic acid diethyl ester Formula: C26H26O4S MolecularWeight: 434.54724

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CC2=C(SC(=C2CC1C(=O)OCC)C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)[C@@H]1CC2=C(SC(=C2C[C@H]1C(=O)OCC)C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C26H26O4S/c1-3-29-25(27)21-15-19-20(16-22(21)26(28)30-4-2)24(18-13-9-6-10-14-18)31-23(19)17-11-7-5-8-12-17/h5-14,21-22H,3-4,15-16H2,1-2H3/t21-,22-/m1/s1