(4R,5S)-2-methyl-6-methylidene-7-oxidanylidene-4-(3,4,5-trimethoxyphenyl)-4,5-dihydro-1-benzothiophene-5-carboxylic acid

Systemtic Name: (4R,5S)-2-methyl-6-methylidene-7-oxidanylidene-4-(3,4,5-trimethoxyphenyl)-4,5-dihydro-1-benzothiophene-5-carboxylic acid Openeye Name: (4R,5S)-2-methyl-6-methylene-7-oxo-4-(3,4,5-trimethoxyphenyl)-4,5-dihydrobenzothiophene-5-carboxylic acid CAS Name: (4R,5S)-2-methyl-6-methylene-7-oxo-4-(3,4,5-trimethoxyphenyl)-4,5-dihydro-1-benzothiophene-5-carboxylic acid IUPAC Name: (4R,5S)-2-methyl-6-methylidene-7-oxo-4-(3,4,5-trimethoxyphenyl)-4,5-dihydro-1-benzothiophene-5-carboxylic acid Traditional Name: (4R,5S)-7-keto-2-methyl-6-methylene-4-(3,4,5-trimethoxyphenyl)-4,5-dihydrobenzothiophene-5-carboxylic acid Formula: C20H20O6S MolecularWeight: 388.4342

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(S1)C(=O)C(=C)C(C2C3=CC(=C(C(=C3)OC)OC)OC)C(=O)O

Isomeric SMILES

CC1=CC2=C(S1)C(=O)C(=C)[C@H]([C@@H]2C3=CC(=C(C(=C3)OC)OC)OC)C(=O)O

InChI

InChI=1S/C20H20O6S/c1-9-6-12-16(15(20(22)23)10(2)17(21)19(12)27-9)11-7-13(24-3)18(26-5)14(8-11)25-4/h6-8,15-16H,2H2,1,3-5H3,(H,22,23)/t15-,16-/m1/s1