3-[[5-[(3-butoxyphenyl)methylidene]-4-oxidanylidene-1,3-thiazol-2-yl]amino]benzoic acid

Systemtic Name: 3-[[5-[(3-butoxyphenyl)methylidene]-4-oxidanylidene-1,3-thiazol-2-yl]amino]benzoic acid Openeye Name: 3-[[5-[(3-butoxyphenyl)methylene]-4-oxo-thiazol-2-yl]amino]benzoic acid CAS Name: 3-[[5-[(3-butoxyphenyl)methylidene]-4-oxo-2-thiazolyl]amino]benzoic acid IUPAC Name: 3-[[5-[(3-butoxyphenyl)methylidene]-4-oxo-1,3-thiazol-2-yl]amino]benzoic acid Traditional Name: 3-[[5-(3-butoxybenzylidene)-4-keto-2-thiazolin-2-yl]amino]benzoic acid Formula: C21H20N2O4S MolecularWeight: 396.4595

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=CC(=C1)C=C2C(=O)N=C(S2)NC3=CC=CC(=C3)C(=O)O

Isomeric SMILES

CCCCOC1=CC=CC(=C1)C=C2C(=O)N=C(S2)NC3=CC=CC(=C3)C(=O)O

InChI

InChI=1S/C21H20N2O4S/c1-2-3-10-27-17-9-4-6-14(11-17)12-18-19(24)23-21(28-18)22-16-8-5-7-15(13-16)20(25)26/h4-9,11-13H,2-3,10H2,1H3,(H,25,26)(H,22,23,24)