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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H18O5S/c1-8-14(16)10-7-12(19-3)11(18-2)5-9(10)6-13(21-8)15(17)20-4/h5,7-8,13H,6H2,1-4H3/t8-,13+/m0/s1