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

Systemtic Name: 4-methyl-3-[(5Z)-4-oxidanylidene-5-[(2-propoxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-3-yl]benzoic acid Openeye Name: 4-methyl-3-[(5Z)-4-oxo-5-[(2-propoxyphenyl)methylene]-2-thioxo-thiazolidin-3-yl]benzoic acid CAS Name: 4-methyl-3-[(5Z)-4-oxo-5-[(2-propoxyphenyl)methylidene]-2-sulfanylidene-3-thiazolidinyl]benzoic acid IUPAC Name: 4-methyl-3-[(5Z)-4-oxo-5-[(2-propoxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-3-yl]benzoic acid Traditional Name: 3-[(5Z)-4-keto-5-(2-propoxybenzylidene)-2-thioxo-thiazolidin-3-yl]-4-methyl-benzoic acid Formula: C21H19NO4S2 MolecularWeight: 413.50986

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=CC=C1C=C2C(=O)N(C(=S)S2)C3=C(C=CC(=C3)C(=O)O)C

Isomeric SMILES

CCCOC1=CC=CC=C1/C=C\2/C(=O)N(C(=S)S2)C3=C(C=CC(=C3)C(=O)O)C

InChI

InChI=1S/C21H19NO4S2/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/h4-9,11-12H,3,10H2,1-2H3,(H,24,25)/b18-12-