ethyl (2Z)-2-[4-(4-bromophenyl)-3-(phenylmethyl)-1,3-thiazol-2-ylidene]-2-cyano-ethanoate

Systemtic Name: ethyl (2Z)-2-[4-(4-bromophenyl)-3-(phenylmethyl)-1,3-thiazol-2-ylidene]-2-cyano-ethanoate Openeye Name: ethyl (2Z)-2-[3-benzyl-4-(4-bromophenyl)thiazol-2-ylidene]-2-cyano-acetate CAS Name: (2Z)-2-[4-(4-bromophenyl)-3-(phenylmethyl)-2-thiazolylidene]-2-cyanoacetic acid ethyl ester IUPAC Name: ethyl (2Z)-2-[3-benzyl-4-(4-bromophenyl)-1,3-thiazol-2-ylidene]-2-cyanoacetate Traditional Name: (2Z)-2-[3-benzyl-4-(4-bromophenyl)-4-thiazolin-2-ylidene]-2-cyano-acetic acid ethyl ester Formula: C21H17BrN2O2S MolecularWeight: 441.34088

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=C1N(C(=CS1)C2=CC=C(C=C2)Br)CC3=CC=CC=C3)C#N

Isomeric SMILES

CCOC(=O)/C(=C\1/N(C(=CS1)C2=CC=C(C=C2)Br)CC3=CC=CC=C3)/C#N

InChI

InChI=1S/C21H17BrN2O2S/c1-2-26-21(25)18(12-23)20-24(13-15-6-4-3-5-7-15)19(14-27-20)16-8-10-17(22)11-9-16/h3-11,14H,2,13H2,1H3/b20-18-