2-[(5Z)-5-[(3-ethoxy-4-oxidanyl-phenyl)methylidene]-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]butanedioic acid

Systemtic Name: 2-[(5Z)-5-[(3-ethoxy-4-oxidanyl-phenyl)methylidene]-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]butanedioic acid Openeye Name: 2-[(5Z)-5-[(3-ethoxy-4-hydroxy-phenyl)methylene]-4-oxo-2-thioxo-thiazolidin-3-yl]butanedioic acid CAS Name: 2-[(5Z)-5-[(3-ethoxy-4-hydroxyphenyl)methylidene]-4-oxo-2-sulfanylidene-3-thiazolidinyl]butanedioic acid IUPAC Name: 2-[(5Z)-5-[(3-ethoxy-4-hydroxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanedioic acid Traditional Name: 2-[(5Z)-5-(3-ethoxy-4-hydroxy-benzylidene)-4-keto-2-thioxo-thiazolidin-3-yl]succinic acid Formula: C16H15NO7S2 MolecularWeight: 397.4228

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H15NO7S2/c1-2-24-11-5-8(3-4-10(11)18)6-12-14(21)17(16(25)26-12)9(15(22)23)7-13(19)20/h3-6,9,18H,2,7H2,1H3,(H,19,20)(H,22,23)/b12-6-