(2R,4S)-7,8-dimethoxy-4-methyl-5-oxidanylidene-1,2-dihydro-3-benzothiepine-2-carboxylic acid

Systemtic Name: (2R,4S)-7,8-dimethoxy-4-methyl-5-oxidanylidene-1,2-dihydro-3-benzothiepine-2-carboxylic acid Openeye Name: (2R,4S)-7,8-dimethoxy-4-methyl-5-oxo-1,2-dihydro-3-benzothiepine-2-carboxylic acid CAS Name: (2R,4S)-7,8-dimethoxy-4-methyl-5-oxo-1,2-dihydro-3-benzothiepin-2-carboxylic acid IUPAC Name: (2R,4S)-7,8-dimethoxy-4-methyl-5-oxo-1,2-dihydro-3-benzothiepine-2-carboxylic acid Traditional Name: (2R,4S)-5-keto-7,8-dimethoxy-4-methyl-1,2-dihydro-3-benzothiepin-2-carboxylic acid Formula: C14H16O5S MolecularWeight: 296.33884

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(=O)C2=CC(=C(C=C2CC(S1)C(=O)O)OC)OC

Isomeric SMILES

C[C@H]1C(=O)C2=CC(=C(C=C2C[C@@H](S1)C(=O)O)OC)OC

InChI

InChI=1S/C14H16O5S/c1-7-13(15)9-6-11(19-3)10(18-2)4-8(9)5-12(20-7)14(16)17/h4,6-7,12H,5H2,1-3H3,(H,16,17)/t7-,12+/m0/s1