butyl 6-[(5Z)-5-[(4-methylphenyl)methylidene]-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]hexanoate

Systemtic Name: butyl 6-[(5Z)-5-[(4-methylphenyl)methylidene]-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]hexanoate Openeye Name: butyl 6-[(5Z)-4-oxo-5-(p-tolylmethylene)-2-thioxo-thiazolidin-3-yl]hexanoate CAS Name: 6-[(5Z)-5-[(4-methylphenyl)methylidene]-4-oxo-2-sulfanylidene-3-thiazolidinyl]hexanoic acid butyl ester IUPAC Name: butyl 6-[(5Z)-5-[(4-methylphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]hexanoate Traditional Name: 6-[(5Z)-4-keto-5-(4-methylbenzylidene)-2-thioxo-thiazolidin-3-yl]hexanoic acid butyl ester Formula: C21H27NO3S2 MolecularWeight: 405.57398

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCCCOC(=O)CCCCCN1C(=O)/C(=C/C2=CC=C(C=C2)C)/SC1=S

InChI

InChI=1S/C21H27NO3S2/c1-3-4-14-25-19(23)8-6-5-7-13-22-20(24)18(27-21(22)26)15-17-11-9-16(2)10-12-17/h9-12,15H,3-8,13-14H2,1-2H3/b18-15-