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

Systemtic Name: 4-[[5-[(3-chloranyl-5-methoxy-4-prop-2-ynoxy-phenyl)methylidene]-3-methyl-4-oxidanylidene-1,3-thiazolidin-2-ylidene]amino]benzoic acid Openeye Name: 4-[[5-[(3-chloro-5-methoxy-4-prop-2-ynoxy-phenyl)methylene]-3-methyl-4-oxo-thiazolidin-2-ylidene]amino]benzoic acid CAS Name: 4-[[5-[(3-chloro-5-methoxy-4-prop-2-ynoxyphenyl)methylidene]-3-methyl-4-oxo-2-thiazolidinylidene]amino]benzoic acid IUPAC Name: 4-[[5-[(3-chloro-5-methoxy-4-prop-2-ynoxyphenyl)methylidene]-3-methyl-4-oxo-1,3-thiazolidin-2-ylidene]amino]benzoic acid Traditional Name: 4-[[5-(3-chloro-5-methoxy-4-propargyloxy-benzylidene)-4-keto-3-methyl-thiazolidin-2-ylidene]amino]benzoic acid Formula: C22H17ClN2O5S MolecularWeight: 456.89878

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H17ClN2O5S/c1-4-9-30-19-16(23)10-13(11-17(19)29-3)12-18-20(26)25(2)22(31-18)24-15-7-5-14(6-8-15)21(27)28/h1,5-8,10-12H,9H2,2-3H3,(H,27,28)