2-[(5E)-4-oxidanylidene-5-[(4-prop-2-enoxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-3-yl]pentanedioic acid

Systemtic Name: 2-[(5E)-4-oxidanylidene-5-[(4-prop-2-enoxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-3-yl]pentanedioic acid Openeye Name: 2-[(5E)-5-[(4-allyloxyphenyl)methylene]-4-oxo-2-thioxo-thiazolidin-3-yl]pentanedioic acid CAS Name: 2-[(5E)-4-oxo-5-[(4-prop-2-enoxyphenyl)methylidene]-2-sulfanylidene-3-thiazolidinyl]pentanedioic acid IUPAC Name: 2-[(5E)-4-oxo-5-[(4-prop-2-enoxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-3-yl]pentanedioic acid Traditional Name: 2-[(5E)-5-(4-allyloxybenzylidene)-4-keto-2-thioxo-thiazolidin-3-yl]glutaric acid Formula: C18H17NO6S2 MolecularWeight: 407.46068

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Descriptors Computed from Structure

Canonical SMILES:

C=CCOC1=CC=C(C=C1)C=C2C(=O)N(C(=S)S2)C(CCC(=O)O)C(=O)O

Isomeric SMILES

C=CCOC1=CC=C(C=C1)/C=C/2\C(=O)N(C(=S)S2)C(CCC(=O)O)C(=O)O

InChI

InChI=1S/C18H17NO6S2/c1-2-9-25-12-5-3-11(4-6-12)10-14-16(22)19(18(26)27-14)13(17(23)24)7-8-15(20)21/h2-6,10,13H,1,7-9H2,(H,20,21)(H,23,24)/b14-10+