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

Systemtic Name: methyl 2-oxidanylidene-5-[(E)-1-phenylsulfanyloct-2-enyl]cyclopentane-1-carboxylate Openeye Name: methyl 2-oxo-5-[(E)-1-phenylsulfanyloct-2-enyl]cyclopentanecarboxylate CAS Name: 2-oxo-5-[(E)-1-(phenylthio)oct-2-enyl]-1-cyclopentanecarboxylic acid methyl ester IUPAC Name: methyl 2-oxo-5-[(E)-1-phenylsulfanyloct-2-enyl]cyclopentane-1-carboxylate Traditional Name: 2-keto-5-[(E)-1-(phenylthio)oct-2-enyl]cyclopentanecarboxylic acid methyl ester Formula: C21H28O3S MolecularWeight: 360.51022

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCC=CC(C1CCC(=O)C1C(=O)OC)SC2=CC=CC=C2

Isomeric SMILES

CCCCC/C=C/C(C1CCC(=O)C1C(=O)OC)SC2=CC=CC=C2

InChI

InChI=1S/C21H28O3S/c1-3-4-5-6-10-13-19(25-16-11-8-7-9-12-16)17-14-15-18(22)20(17)21(23)24-2/h7-13,17,19-20H,3-6,14-15H2,1-2H3/b13-10+