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

Systemtic Name: (2R,4S)-4-ethyl-7,8-dimethoxy-5-oxidanylidene-1,2-dihydro-3-benzothiepine-2-carboxylic acid Openeye Name: (2R,4S)-4-ethyl-7,8-dimethoxy-5-oxo-1,2-dihydro-3-benzothiepine-2-carboxylic acid CAS Name: (2R,4S)-4-ethyl-7,8-dimethoxy-5-oxo-1,2-dihydro-3-benzothiepin-2-carboxylic acid IUPAC Name: (2R,4S)-4-ethyl-7,8-dimethoxy-5-oxo-1,2-dihydro-3-benzothiepine-2-carboxylic acid Traditional Name: (2R,4S)-4-ethyl-5-keto-7,8-dimethoxy-1,2-dihydro-3-benzothiepin-2-carboxylic acid Formula: C15H18O5S MolecularWeight: 310.36542

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C(=O)C2=CC(=C(C=C2CC(S1)C(=O)O)OC)OC

Isomeric SMILES

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

InChI

InChI=1S/C15H18O5S/c1-4-12-14(16)9-7-11(20-3)10(19-2)5-8(9)6-13(21-12)15(17)18/h5,7,12-13H,4,6H2,1-3H3,(H,17,18)/t12-,13+/m0/s1