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

Systemtic Name: methyl 3-oxidanyl-5-oxidanylidene-2-[(E)-1-phenylsulfanyloct-2-enyl]cyclopentane-1-carboxylate Openeye Name: methyl 3-hydroxy-5-oxo-2-[(E)-1-phenylsulfanyloct-2-enyl]cyclopentanecarboxylate CAS Name: 3-hydroxy-5-oxo-2-[(E)-1-(phenylthio)oct-2-enyl]-1-cyclopentanecarboxylic acid methyl ester IUPAC Name: methyl 3-hydroxy-5-oxo-2-[(E)-1-phenylsulfanyloct-2-enyl]cyclopentane-1-carboxylate Traditional Name: 3-hydroxy-5-keto-2-[(E)-1-(phenylthio)oct-2-enyl]cyclopentanecarboxylic acid methyl ester Formula: C21H28O4S MolecularWeight: 376.50962

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCC=CC(C1C(CC(=O)C1C(=O)OC)O)SC2=CC=CC=C2

Isomeric SMILES

CCCCC/C=C/C(C1C(CC(=O)C1C(=O)OC)O)SC2=CC=CC=C2

InChI

InChI=1S/C21H28O4S/c1-3-4-5-6-10-13-18(26-15-11-8-7-9-12-15)19-16(22)14-17(23)20(19)21(24)25-2/h7-13,16,18-20,22H,3-6,14H2,1-2H3/b13-10+