3-[[(5E)-5-[(3-butoxyphenyl)methylidene]-4-oxidanidyl-1,3-thiazol-2-ylidene]amino]benzoate

Systemtic Name: 3-[[(5E)-5-[(3-butoxyphenyl)methylidene]-4-oxidanidyl-1,3-thiazol-2-ylidene]amino]benzoate Openeye Name: 3-[[(5E)-5-[(3-butoxyphenyl)methylene]-4-oxido-thiazol-2-ylidene]amino]benzoate CAS Name: 3-[[(5E)-5-[(3-butoxyphenyl)methylidene]-4-oxido-2-thiazolylidene]amino]benzoate IUPAC Name: 3-[[(5E)-5-[(3-butoxyphenyl)methylidene]-4-oxido-1,3-thiazol-2-ylidene]amino]benzoate Traditional Name: 3-[[(5E)-5-(3-butoxybenzylidene)-4-oxido-3-thiazolin-2-ylidene]amino]benzoate Formula: C21H18N2O4S-2 MolecularWeight: 394.44362

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=CC(=C1)C=C2C(=NC(=NC3=CC=CC(=C3)C(=O)[O-])S2)[O-]

Isomeric SMILES

CCCCOC1=CC=CC(=C1)/C=C/2\C(=NC(=NC3=CC=CC(=C3)C(=O)[O-])S2)[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)/p-2/b18-12+