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

Systemtic Name: (4R,5S)-6-methylidene-7-oxidanylidene-4-(3,4,5-trimethoxyphenyl)-4,5-dihydro-1-benzothiophene-5-carboxylic acid Openeye Name: (4R,5S)-6-methylene-7-oxo-4-(3,4,5-trimethoxyphenyl)-4,5-dihydrobenzothiophene-5-carboxylic acid CAS Name: (4R,5S)-6-methylene-7-oxo-4-(3,4,5-trimethoxyphenyl)-4,5-dihydro-1-benzothiophene-5-carboxylic acid IUPAC Name: (4R,5S)-6-methylidene-7-oxo-4-(3,4,5-trimethoxyphenyl)-4,5-dihydro-1-benzothiophene-5-carboxylic acid Traditional Name: (4R,5S)-7-keto-6-methylene-4-(3,4,5-trimethoxyphenyl)-4,5-dihydrobenzothiophene-5-carboxylic acid Formula: C19H18O6S MolecularWeight: 374.40762

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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)O

Isomeric SMILES

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

InChI

InChI=1S/C19H18O6S/c1-9-14(19(21)22)15(11-5-6-26-18(11)16(9)20)10-7-12(23-2)17(25-4)13(8-10)24-3/h5-8,14-15H,1H2,2-4H3,(H,21,22)/t14-,15-/m1/s1