4-[(5Z)-5-[(5-bromanyl-2-phenylmethoxy-phenyl)methylidene]-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoate

Systemtic Name: 4-[(5Z)-5-[(5-bromanyl-2-phenylmethoxy-phenyl)methylidene]-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoate Openeye Name: 4-[(5Z)-5-[(2-benzyloxy-5-bromo-phenyl)methylene]-4-oxo-2-thioxo-thiazolidin-3-yl]butanoate CAS Name: 4-[(5Z)-5-[(5-bromo-2-phenylmethoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-3-thiazolidinyl]butanoate IUPAC Name: 4-[(5Z)-5-[(5-bromo-2-phenylmethoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoate Traditional Name: 4-[(5Z)-5-(2-benzoxy-5-bromo-benzylidene)-4-keto-2-thioxo-thiazolidin-3-yl]butyrate Formula: C21H17BrNO4S2- MolecularWeight: 491.39798

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC2=C(C=C(C=C2)Br)C=C3C(=O)N(C(=S)S3)CCCC(=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)COC2=C(C=C(C=C2)Br)/C=C\3/C(=O)N(C(=S)S3)CCCC(=O)[O-]

InChI

InChI=1S/C21H18BrNO4S2/c22-16-8-9-17(27-13-14-5-2-1-3-6-14)15(11-16)12-18-20(26)23(21(28)29-18)10-4-7-19(24)25/h1-3,5-6,8-9,11-12H,4,7,10,13H2,(H,24,25)/p-1/b18-12-