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

Systemtic Name: methyl (2R,4R)-7,8-dimethoxy-5-oxidanylidene-4-propan-2-yl-1,2-dihydro-3-benzothiepine-2-carboxylate Openeye Name: methyl (2R,4R)-4-isopropyl-7,8-dimethoxy-5-oxo-1,2-dihydro-3-benzothiepine-2-carboxylate CAS Name: (2R,4R)-7,8-dimethoxy-5-oxo-4-propan-2-yl-1,2-dihydro-3-benzothiepin-2-carboxylic acid methyl ester IUPAC Name: methyl (2R,4R)-7,8-dimethoxy-5-oxo-4-propan-2-yl-1,2-dihydro-3-benzothiepine-2-carboxylate Traditional Name: (2R,4R)-4-isopropyl-5-keto-7,8-dimethoxy-1,2-dihydro-3-benzothiepin-2-carboxylic acid methyl ester Formula: C17H22O5S MolecularWeight: 338.41858

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H22O5S/c1-9(2)16-15(18)11-8-13(21-4)12(20-3)6-10(11)7-14(23-16)17(19)22-5/h6,8-9,14,16H,7H2,1-5H3/t14-,16-/m1/s1