ethyl 4-[[(5E)-5-[(4-dimethylaminophenyl)methylidene]-4-oxidanylidene-1,3-thiazol-2-yl]amino]benzoate

Systemtic Name: ethyl 4-[[(5E)-5-[(4-dimethylaminophenyl)methylidene]-4-oxidanylidene-1,3-thiazol-2-yl]amino]benzoate Openeye Name: ethyl 4-[[(5E)-5-[(4-dimethylaminophenyl)methylene]-4-oxo-thiazol-2-yl]amino]benzoate CAS Name: 4-[[(5E)-5-[(4-dimethylaminophenyl)methylidene]-4-oxo-2-thiazolyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[(5E)-5-[(4-dimethylaminophenyl)methylidene]-4-oxo-1,3-thiazol-2-yl]amino]benzoate Traditional Name: 4-[[(5E)-5-[4-(dimethylamino)benzylidene]-4-keto-2-thiazolin-2-yl]amino]benzoic acid ethyl ester Formula: C21H21N3O3S MolecularWeight: 395.47474

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC2=NC(=O)C(=CC3=CC=C(C=C3)N(C)C)S2

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC2=NC(=O)/C(=C\C3=CC=C(C=C3)N(C)C)/S2

InChI

InChI=1S/C21H21N3O3S/c1-4-27-20(26)15-7-9-16(10-8-15)22-21-23-19(25)18(28-21)13-14-5-11-17(12-6-14)24(2)3/h5-13H,4H2,1-3H3,(H,22,23,25)/b18-13+