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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H20O5S/c1-5-13-15(17)10-8-12(20-3)11(19-2)6-9(10)7-14(22-13)16(18)21-4/h6,8,13-14H,5,7H2,1-4H3/t13-,14+/m0/s1