(2R)-2-[(5Z)-5-[(4-ethylphenyl)methylidene]-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]butanedioate

Systemtic Name: (2R)-2-[(5Z)-5-[(4-ethylphenyl)methylidene]-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]butanedioate Openeye Name: (2R)-2-[(5Z)-5-[(4-ethylphenyl)methylene]-4-oxo-2-thioxo-thiazolidin-3-yl]butanedioate CAS Name: (2R)-2-[(5Z)-5-[(4-ethylphenyl)methylidene]-4-oxo-2-sulfanylidene-3-thiazolidinyl]butanedioate IUPAC Name: (2R)-2-[(5Z)-5-[(4-ethylphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanedioate Traditional Name: (2R)-2-[(5Z)-5-(4-ethylbenzylidene)-4-keto-2-thioxo-thiazolidin-3-yl]succinate Formula: C16H13NO5S2-2 MolecularWeight: 363.40812

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C=C2C(=O)N(C(=S)S2)C(CC(=O)[O-])C(=O)[O-]

Isomeric SMILES

CCC1=CC=C(C=C1)/C=C\2/C(=O)N(C(=S)S2)[C@H](CC(=O)[O-])C(=O)[O-]

InChI

InChI=1S/C16H15NO5S2/c1-2-9-3-5-10(6-4-9)7-12-14(20)17(16(23)24-12)11(15(21)22)8-13(18)19/h3-7,11H,2,8H2,1H3,(H,18,19)(H,21,22)/p-2/b12-7-/t11-/m1/s1