3-[[(5Z)-5-[(4-butoxy-3-methoxy-phenyl)methylidene]-4-oxidanylidene-1,3-thiazol-2-yl]amino]benzoic acid

Systemtic Name: 3-[[(5Z)-5-[(4-butoxy-3-methoxy-phenyl)methylidene]-4-oxidanylidene-1,3-thiazol-2-yl]amino]benzoic acid Openeye Name: 3-[[(5Z)-5-[(4-butoxy-3-methoxy-phenyl)methylene]-4-oxo-thiazol-2-yl]amino]benzoic acid CAS Name: 3-[[(5Z)-5-[(4-butoxy-3-methoxyphenyl)methylidene]-4-oxo-2-thiazolyl]amino]benzoic acid IUPAC Name: 3-[[(5Z)-5-[(4-butoxy-3-methoxyphenyl)methylidene]-4-oxo-1,3-thiazol-2-yl]amino]benzoic acid Traditional Name: 3-[[(5Z)-5-(4-butoxy-3-methoxy-benzylidene)-4-keto-2-thiazolin-2-yl]amino]benzoic acid Formula: C22H22N2O5S MolecularWeight: 426.48548

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)/C=C\2/C(=O)N=C(S2)NC3=CC=CC(=C3)C(=O)O)OC

InChI

InChI=1S/C22H22N2O5S/c1-3-4-10-29-17-9-8-14(11-18(17)28-2)12-19-20(25)24-22(30-19)23-16-7-5-6-15(13-16)21(26)27/h5-9,11-13H,3-4,10H2,1-2H3,(H,26,27)(H,23,24,25)/b19-12-