ethyl (E,5R)-5-(1,3-dithian-2-yl)-4,4-dimethyl-5-phenylmethoxy-pent-2-enoate

Systemtic Name: ethyl (E,5R)-5-(1,3-dithian-2-yl)-4,4-dimethyl-5-phenylmethoxy-pent-2-enoate Openeye Name: ethyl (E,5R)-5-benzyloxy-5-(1,3-dithian-2-yl)-4,4-dimethyl-pent-2-enoate CAS Name: (E,5R)-5-(1,3-dithian-2-yl)-4,4-dimethyl-5-phenylmethoxy-2-pentenoic acid ethyl ester IUPAC Name: ethyl (E,5R)-5-(1,3-dithian-2-yl)-4,4-dimethyl-5-phenylmethoxypent-2-enoate Traditional Name: (E,5R)-5-benzoxy-5-(1,3-dithian-2-yl)-4,4-dimethyl-pent-2-enoic acid ethyl ester Formula: C20H28O3S2 MolecularWeight: 380.56452

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C=CC(C)(C)C(C1SCCCS1)OCC2=CC=CC=C2

Isomeric SMILES

CCOC(=O)/C=C/C(C)(C)[C@H](C1SCCCS1)OCC2=CC=CC=C2

InChI

InChI=1S/C20H28O3S2/c1-4-22-17(21)11-12-20(2,3)18(19-24-13-8-14-25-19)23-15-16-9-6-5-7-10-16/h5-7,9-12,18-19H,4,8,13-15H2,1-3H3/b12-11+/t18-/m0/s1