4-[[3-methyl-4-oxidanylidene-5-[(4-prop-2-ynoxyphenyl)methylidene]-1,3-thiazolidin-2-ylidene]amino]benzoic acid

Systemtic Name: 4-[[3-methyl-4-oxidanylidene-5-[(4-prop-2-ynoxyphenyl)methylidene]-1,3-thiazolidin-2-ylidene]amino]benzoic acid Openeye Name: 4-[[3-methyl-4-oxo-5-[(4-prop-2-ynoxyphenyl)methylene]thiazolidin-2-ylidene]amino]benzoic acid CAS Name: 4-[[3-methyl-4-oxo-5-[(4-prop-2-ynoxyphenyl)methylidene]-2-thiazolidinylidene]amino]benzoic acid IUPAC Name: 4-[[3-methyl-4-oxo-5-[(4-prop-2-ynoxyphenyl)methylidene]-1,3-thiazolidin-2-ylidene]amino]benzoic acid Traditional Name: 4-[[4-keto-3-methyl-5-(4-propargyloxybenzylidene)thiazolidin-2-ylidene]amino]benzoic acid Formula: C21H16N2O4S MolecularWeight: 392.42774

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C(=CC2=CC=C(C=C2)OCC#C)SC1=NC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

CN1C(=O)C(=CC2=CC=C(C=C2)OCC#C)SC1=NC3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C21H16N2O4S/c1-3-12-27-17-10-4-14(5-11-17)13-18-19(24)23(2)21(28-18)22-16-8-6-15(7-9-16)20(25)26/h1,4-11,13H,12H2,2H3,(H,25,26)