ethyl (2R)-2-(1,3-dithiepan-2-yl)-3-oxidanylidene-3-phenyl-propanoate

Systemtic Name: ethyl (2R)-2-(1,3-dithiepan-2-yl)-3-oxidanylidene-3-phenyl-propanoate Openeye Name: ethyl (2R)-2-(1,3-dithiepan-2-yl)-3-oxo-3-phenyl-propanoate CAS Name: (2R)-2-(1,3-dithiepan-2-yl)-3-oxo-3-phenylpropanoic acid ethyl ester IUPAC Name: ethyl (2R)-2-(1,3-dithiepan-2-yl)-3-oxo-3-phenylpropanoate Traditional Name: (2R)-2-(1,3-dithiepan-2-yl)-3-keto-3-phenyl-propionic acid ethyl ester Formula: C16H20O3S2 MolecularWeight: 324.4582

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C1SCCCCS1)C(=O)C2=CC=CC=C2

Isomeric SMILES

CCOC(=O)[C@H](C1SCCCCS1)C(=O)C2=CC=CC=C2

InChI

InChI=1S/C16H20O3S2/c1-2-19-15(18)13(16-20-10-6-7-11-21-16)14(17)12-8-4-3-5-9-12/h3-5,8-9,13,16H,2,6-7,10-11H2,1H3/t13-/m1/s1