dimethyl (4S,5R,6S)-4-(3,4-dimethoxyphenyl)-7-oxidanylidene-5,6-dihydro-4H-1-benzothiophene-5,6-dicarboxylate

Systemtic Name: dimethyl (4S,5R,6S)-4-(3,4-dimethoxyphenyl)-7-oxidanylidene-5,6-dihydro-4H-1-benzothiophene-5,6-dicarboxylate Openeye Name: dimethyl (4S,5R,6S)-4-(3,4-dimethoxyphenyl)-7-oxo-5,6-dihydro-4H-benzothiophene-5,6-dicarboxylate CAS Name: (4S,5R,6S)-4-(3,4-dimethoxyphenyl)-7-oxo-5,6-dihydro-4H-1-benzothiophene-5,6-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl (4S,5R,6S)-4-(3,4-dimethoxyphenyl)-7-oxo-5,6-dihydro-4H-1-benzothiophene-5,6-dicarboxylate Traditional Name: (4S,5R,6S)-4-(3,4-dimethoxyphenyl)-7-keto-5,6-dihydro-4H-benzothiophene-5,6-dicarboxylic acid dimethyl ester Formula: C20H20O7S MolecularWeight: 404.4336

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2C(C(C(=O)C3=C2C=CS3)C(=O)OC)C(=O)OC)OC

Isomeric SMILES

COC1=C(C=C(C=C1)[C@@H]2[C@H]([C@@H](C(=O)C3=C2C=CS3)C(=O)OC)C(=O)OC)OC

InChI

InChI=1S/C20H20O7S/c1-24-12-6-5-10(9-13(12)25-2)14-11-7-8-28-18(11)17(21)16(20(23)27-4)15(14)19(22)26-3/h5-9,14-16H,1-4H3/t14-,15+,16-/m0/s1