pentyl 6-[(5E)-2-oxidanylidene-5-(phenylmethylidene)-4-sulfanylidene-1,3-thiazolidin-3-yl]hexanoate

Systemtic Name: pentyl 6-[(5E)-2-oxidanylidene-5-(phenylmethylidene)-4-sulfanylidene-1,3-thiazolidin-3-yl]hexanoate Openeye Name: pentyl 6-[(5E)-5-benzylidene-2-oxo-4-thioxo-thiazolidin-3-yl]hexanoate CAS Name: 6-[(5E)-2-oxo-5-(phenylmethylene)-4-sulfanylidene-3-thiazolidinyl]hexanoic acid pentyl ester IUPAC Name: pentyl 6-[(5E)-5-benzylidene-2-oxo-4-sulfanylidene-1,3-thiazolidin-3-yl]hexanoate Traditional Name: 6-[(5E)-5-benzal-2-keto-4-thioxo-thiazolidin-3-yl]hexanoic acid amyl ester Formula: C21H27NO3S2 MolecularWeight: 405.57398

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC(=O)CCCCCN1C(=S)C(=CC2=CC=CC=C2)SC1=O

Isomeric SMILES

CCCCCOC(=O)CCCCCN1C(=S)/C(=C\C2=CC=CC=C2)/SC1=O

InChI

InChI=1S/C21H27NO3S2/c1-2-3-10-15-25-19(23)13-8-5-9-14-22-20(26)18(27-21(22)24)16-17-11-6-4-7-12-17/h4,6-7,11-12,16H,2-3,5,8-10,13-15H2,1H3/b18-16+