3-[(5E)-5-[[4-(diethylazaniumyl)phenyl]methylidene]-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoate

Systemtic Name: 3-[(5E)-5-[[4-(diethylazaniumyl)phenyl]methylidene]-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoate Openeye Name: 3-[(5E)-5-[[4-(diethylammonio)phenyl]methylene]-4-oxo-2-thioxo-thiazolidin-3-yl]propanoate CAS Name: 3-[(5E)-5-[[4-(diethylammonio)phenyl]methylidene]-4-oxo-2-sulfanylidene-3-thiazolidinyl]propanoate IUPAC Name: 3-[(5E)-5-[[4-(diethylazaniumyl)phenyl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoate Traditional Name: 3-[(5E)-5-[4-(diethylammonio)benzylidene]-4-keto-2-thioxo-thiazolidin-3-yl]propionate Formula: C17H20N2O3S2 MolecularWeight: 364.4823

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)C1=CC=C(C=C1)C=C2C(=O)N(C(=S)S2)CCC(=O)[O-]

Isomeric SMILES

CC[NH+](CC)C1=CC=C(C=C1)/C=C/2\C(=O)N(C(=S)S2)CCC(=O)[O-]

InChI

InChI=1S/C17H20N2O3S2/c1-3-18(4-2)13-7-5-12(6-8-13)11-14-16(22)19(17(23)24-14)10-9-15(20)21/h5-8,11H,3-4,9-10H2,1-2H3,(H,20,21)/b14-11+