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

Systemtic Name: 2-[(5Z)-4-oxidanylidene-5-[(4-prop-2-enoxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-3-yl]butanedioic acid Openeye Name: 2-[(5Z)-5-[(4-allyloxyphenyl)methylene]-4-oxo-2-thioxo-thiazolidin-3-yl]butanedioic acid CAS Name: 2-[(5Z)-4-oxo-5-[(4-prop-2-enoxyphenyl)methylidene]-2-sulfanylidene-3-thiazolidinyl]butanedioic acid IUPAC Name: 2-[(5Z)-4-oxo-5-[(4-prop-2-enoxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-3-yl]butanedioic acid Traditional Name: 2-[(5Z)-5-(4-allyloxybenzylidene)-4-keto-2-thioxo-thiazolidin-3-yl]succinic acid Formula: C17H15NO6S2 MolecularWeight: 393.4341

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H15NO6S2/c1-2-7-24-11-5-3-10(4-6-11)8-13-15(21)18(17(25)26-13)12(16(22)23)9-14(19)20/h2-6,8,12H,1,7,9H2,(H,19,20)(H,22,23)/b13-8-