propyl 4-[(5E)-5-[(5-bromanyl-2-butoxy-phenyl)methylidene]-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoate

Systemtic Name: propyl 4-[(5E)-5-[(5-bromanyl-2-butoxy-phenyl)methylidene]-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoate Openeye Name: propyl 4-[(5E)-5-[(5-bromo-2-butoxy-phenyl)methylene]-4-oxo-2-thioxo-thiazolidin-3-yl]butanoate CAS Name: 4-[(5E)-5-[(5-bromo-2-butoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-3-thiazolidinyl]butanoic acid propyl ester IUPAC Name: propyl 4-[(5E)-5-[(5-bromo-2-butoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoate Traditional Name: 4-[(5E)-5-(5-bromo-2-butoxy-benzylidene)-4-keto-2-thioxo-thiazolidin-3-yl]butyric acid propyl ester Formula: C21H26BrNO4S2 MolecularWeight: 500.46944

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)Br)C=C2C(=O)N(C(=S)S2)CCCC(=O)OCCC

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)Br)/C=C/2\C(=O)N(C(=S)S2)CCCC(=O)OCCC

InChI

InChI=1S/C21H26BrNO4S2/c1-3-5-12-26-17-9-8-16(22)13-15(17)14-18-20(25)23(21(28)29-18)10-6-7-19(24)27-11-4-2/h8-9,13-14H,3-7,10-12H2,1-2H3/b18-14+