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

Systemtic Name: 4-methyl-3-[(5Z)-4-oxidanylidene-5-[(2-prop-2-enoxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-3-yl]benzoic acid Openeye Name: 3-[(5Z)-5-[(2-allyloxyphenyl)methylene]-4-oxo-2-thioxo-thiazolidin-3-yl]-4-methyl-benzoic acid CAS Name: 4-methyl-3-[(5Z)-4-oxo-5-[(2-prop-2-enoxyphenyl)methylidene]-2-sulfanylidene-3-thiazolidinyl]benzoic acid IUPAC Name: 4-methyl-3-[(5Z)-4-oxo-5-[(2-prop-2-enoxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-3-yl]benzoic acid Traditional Name: 3-[(5Z)-5-(2-allyloxybenzylidene)-4-keto-2-thioxo-thiazolidin-3-yl]-4-methyl-benzoic acid Formula: C21H17NO4S2 MolecularWeight: 411.49398

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)O)N2C(=O)C(=CC3=CC=CC=C3OCC=C)SC2=S

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)O)N2C(=O)/C(=C/C3=CC=CC=C3OCC=C)/SC2=S

InChI

InChI=1S/C21H17NO4S2/c1-3-10-26-17-7-5-4-6-14(17)12-18-19(23)22(21(27)28-18)16-11-15(20(24)25)9-8-13(16)2/h3-9,11-12H,1,10H2,2H3,(H,24,25)/b18-12-