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

Systemtic Name: dimethyl (5R,6R)-1,3-diphenyl-4,5,6,7-tetrahydro-2-benzothiophene-5,6-dicarboxylate Openeye Name: dimethyl (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 dimethyl ester IUPAC Name: dimethyl (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 dimethyl ester Formula: C24H22O4S MolecularWeight: 406.49408

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CC2=C(SC(=C2CC1C(=O)OC)C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

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

InChI

InChI=1S/C24H22O4S/c1-27-23(25)19-13-17-18(14-20(19)24(26)28-2)22(16-11-7-4-8-12-16)29-21(17)15-9-5-3-6-10-15/h3-12,19-20H,13-14H2,1-2H3/t19-,20-/m1/s1