2-[5-[(3-ethoxy-4-oxidanyl-phenyl)methylidene]-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]-4-methylsulfanyl-butanoate

Systemtic Name: 2-[5-[(3-ethoxy-4-oxidanyl-phenyl)methylidene]-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]-4-methylsulfanyl-butanoate Openeye Name: 2-[5-[(3-ethoxy-4-hydroxy-phenyl)methylene]-4-oxo-2-thioxo-thiazolidin-3-yl]-4-methylsulfanyl-butanoate CAS Name: 2-[5-[(3-ethoxy-4-hydroxyphenyl)methylidene]-4-oxo-2-sulfanylidene-3-thiazolidinyl]-4-(methylthio)butanoate IUPAC Name: 2-[5-[(3-ethoxy-4-hydroxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-4-methylsulfanylbutanoate Traditional Name: 2-[5-(3-ethoxy-4-hydroxy-benzylidene)-4-keto-2-thioxo-thiazolidin-3-yl]-4-(methylthio)butyrate Formula: C17H18NO5S3- MolecularWeight: 412.52352

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C=C2C(=O)N(C(=S)S2)C(CCSC)C(=O)[O-])O

Isomeric SMILES

CCOC1=C(C=CC(=C1)C=C2C(=O)N(C(=S)S2)C(CCSC)C(=O)[O-])O

InChI

InChI=1S/C17H19NO5S3/c1-3-23-13-8-10(4-5-12(13)19)9-14-15(20)18(17(24)26-14)11(16(21)22)6-7-25-2/h4-5,8-9,11,19H,3,6-7H2,1-2H3,(H,21,22)/p-1