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

Systemtic Name: 3-[[3-ethyl-4-oxidanylidene-5-[(4-prop-2-ynoxyphenyl)methylidene]-1,3-thiazolidin-2-ylidene]amino]benzoic acid Openeye Name: 3-[[3-ethyl-4-oxo-5-[(4-prop-2-ynoxyphenyl)methylene]thiazolidin-2-ylidene]amino]benzoic acid CAS Name: 3-[[3-ethyl-4-oxo-5-[(4-prop-2-ynoxyphenyl)methylidene]-2-thiazolidinylidene]amino]benzoic acid IUPAC Name: 3-[[3-ethyl-4-oxo-5-[(4-prop-2-ynoxyphenyl)methylidene]-1,3-thiazolidin-2-ylidene]amino]benzoic acid Traditional Name: 3-[[3-ethyl-4-keto-5-(4-propargyloxybenzylidene)thiazolidin-2-ylidene]amino]benzoic acid Formula: C22H18N2O4S MolecularWeight: 406.45432

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C(=CC2=CC=C(C=C2)OCC#C)SC1=NC3=CC=CC(=C3)C(=O)O

Isomeric SMILES

CCN1C(=O)C(=CC2=CC=C(C=C2)OCC#C)SC1=NC3=CC=CC(=C3)C(=O)O

InChI

InChI=1S/C22H18N2O4S/c1-3-12-28-18-10-8-15(9-11-18)13-19-20(25)24(4-2)22(29-19)23-17-7-5-6-16(14-17)21(26)27/h1,5-11,13-14H,4,12H2,2H3,(H,26,27)