diethyl 2-[[[4-chloranyl-3-(4-phenyl-1,3-thiazol-2-yl)phenyl]-ethyl-amino]methylidene]propanedioate

Systemtic Name: diethyl 2-[[[4-chloranyl-3-(4-phenyl-1,3-thiazol-2-yl)phenyl]-ethyl-amino]methylidene]propanedioate Openeye Name: diethyl 2-[[4-chloro-N-ethyl-3-(4-phenylthiazol-2-yl)anilino]methylene]propanedioate CAS Name: 2-[[4-chloro-N-ethyl-3-(4-phenyl-2-thiazolyl)anilino]methylidene]propanedioic acid diethyl ester IUPAC Name: diethyl 2-[[4-chloro-N-ethyl-3-(4-phenyl-1,3-thiazol-2-yl)anilino]methylidene]propanedioate Traditional Name: 2-[[4-chloro-N-ethyl-3-(4-phenylthiazol-2-yl)anilino]methylene]malonic acid diethyl ester Formula: C25H25ClN2O4S MolecularWeight: 484.995

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C=C(C(=O)OCC)C(=O)OCC)C1=CC(=C(C=C1)Cl)C2=NC(=CS2)C3=CC=CC=C3

Isomeric SMILES

CCN(C=C(C(=O)OCC)C(=O)OCC)C1=CC(=C(C=C1)Cl)C2=NC(=CS2)C3=CC=CC=C3

InChI

InChI=1S/C25H25ClN2O4S/c1-4-28(15-20(24(29)31-5-2)25(30)32-6-3)18-12-13-21(26)19(14-18)23-27-22(16-33-23)17-10-8-7-9-11-17/h7-16H,4-6H2,1-3H3