methyl 5-oxidanylidene-3-phenylmethoxy-2-[(E)-1-phenylsulfanyloct-2-enyl]cyclopentane-1-carboxylate

Systemtic Name: methyl 5-oxidanylidene-3-phenylmethoxy-2-[(E)-1-phenylsulfanyloct-2-enyl]cyclopentane-1-carboxylate Openeye Name: methyl 3-benzyloxy-5-oxo-2-[(E)-1-phenylsulfanyloct-2-enyl]cyclopentanecarboxylate CAS Name: 5-oxo-3-phenylmethoxy-2-[(E)-1-(phenylthio)oct-2-enyl]-1-cyclopentanecarboxylic acid methyl ester IUPAC Name: methyl 5-oxo-3-phenylmethoxy-2-[(E)-1-phenylsulfanyloct-2-enyl]cyclopentane-1-carboxylate Traditional Name: 3-benzoxy-5-keto-2-[(E)-1-(phenylthio)oct-2-enyl]cyclopentanecarboxylic acid methyl ester Formula: C28H34O4S MolecularWeight: 466.63216

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC=CC(C1C(CC(=O)C1C(=O)OC)OCC2=CC=CC=C2)SC3=CC=CC=C3

Isomeric SMILES

CCCCC/C=C/C(C1C(CC(=O)C1C(=O)OC)OCC2=CC=CC=C2)SC3=CC=CC=C3

InChI

InChI=1S/C28H34O4S/c1-3-4-5-6-13-18-25(33-22-16-11-8-12-17-22)27-24(19-23(29)26(27)28(30)31-2)32-20-21-14-9-7-10-15-21/h7-18,24-27H,3-6,19-20H2,1-2H3/b18-13+