4-[(5E)-4-oxidanylidene-5-[(4-phenylazanylphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoate

Systemtic Name: 4-[(5E)-4-oxidanylidene-5-[(4-phenylazanylphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoate Openeye Name: 4-[(5E)-5-[(4-anilinophenyl)methylene]-4-oxo-2-thioxo-thiazolidin-3-yl]butanoate CAS Name: 4-[(5E)-5-[(4-anilinophenyl)methylidene]-4-oxo-2-sulfanylidene-3-thiazolidinyl]butanoate IUPAC Name: 4-[(5E)-5-[(4-anilinophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoate Traditional Name: 4-[(5E)-5-(4-anilinobenzylidene)-4-keto-2-thioxo-thiazolidin-3-yl]butyrate Formula: C20H17N2O3S2- MolecularWeight: 397.49058

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC2=CC=C(C=C2)C=C3C(=O)N(C(=S)S3)CCCC(=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)NC2=CC=C(C=C2)/C=C/3\C(=O)N(C(=S)S3)CCCC(=O)[O-]

InChI

InChI=1S/C20H18N2O3S2/c23-18(24)7-4-12-22-19(25)17(27-20(22)26)13-14-8-10-16(11-9-14)21-15-5-2-1-3-6-15/h1-3,5-6,8-11,13,21H,4,7,12H2,(H,23,24)/p-1/b17-13+