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

Systemtic Name: diethyl (5R,6R)-1-methyl-3-phenyl-4,5,6,7-tetrahydro-2-benzothiophene-5,6-dicarboxylate Openeye Name: diethyl (5R,6R)-1-methyl-3-phenyl-4,5,6,7-tetrahydro-2-benzothiophene-5,6-dicarboxylate CAS Name: (5R,6R)-1-methyl-3-phenyl-4,5,6,7-tetrahydro-2-benzothiophene-5,6-dicarboxylic acid diethyl ester IUPAC Name: diethyl (5R,6R)-1-methyl-3-phenyl-4,5,6,7-tetrahydro-2-benzothiophene-5,6-dicarboxylate Traditional Name: (5R,6R)-1-methyl-3-phenyl-4,5,6,7-tetrahydroisobenzothiophene-5,6-dicarboxylic acid diethyl ester Formula: C21H24O4S MolecularWeight: 372.47786

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24O4S/c1-4-24-20(22)17-11-15-13(3)26-19(14-9-7-6-8-10-14)16(15)12-18(17)21(23)25-5-2/h6-10,17-18H,4-5,11-12H2,1-3H3/t17-,18-/m1/s1