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

Systemtic Name: (2R,4R)-7,8-dimethoxy-5-oxidanylidene-4-propan-2-yl-1,2-dihydro-3-benzothiepine-2-carboxylic acid Openeye Name: (2R,4R)-4-isopropyl-7,8-dimethoxy-5-oxo-1,2-dihydro-3-benzothiepine-2-carboxylic acid CAS Name: (2R,4R)-7,8-dimethoxy-5-oxo-4-propan-2-yl-1,2-dihydro-3-benzothiepin-2-carboxylic acid IUPAC Name: (2R,4R)-7,8-dimethoxy-5-oxo-4-propan-2-yl-1,2-dihydro-3-benzothiepine-2-carboxylic acid Traditional Name: (2R,4R)-4-isopropyl-5-keto-7,8-dimethoxy-1,2-dihydro-3-benzothiepin-2-carboxylic acid Formula: C16H20O5S MolecularWeight: 324.392

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1C(=O)C2=CC(=C(C=C2CC(S1)C(=O)O)OC)OC

Isomeric SMILES

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

InChI

InChI=1S/C16H20O5S/c1-8(2)15-14(17)10-7-12(21-4)11(20-3)5-9(10)6-13(22-15)16(18)19/h5,7-8,13,15H,6H2,1-4H3,(H,18,19)/t13-,15-/m1/s1