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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C2C(C(=C)C(=O)C3=C2C=CS3)C(=O)OC

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)[C@H]2[C@@H](C(=C)C(=O)C3=C2C=CS3)C(=O)OC

InChI

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