ethyl 2-[2-[[4-(2-cyanophenyl)phenyl]methylsulfanyl]-1,3-thiazol-4-yl]ethanoate

Systemtic Name: ethyl 2-[2-[[4-(2-cyanophenyl)phenyl]methylsulfanyl]-1,3-thiazol-4-yl]ethanoate Openeye Name: ethyl 2-[2-[[4-(2-cyanophenyl)phenyl]methylsulfanyl]thiazol-4-yl]acetate CAS Name: 2-[2-[[4-(2-cyanophenyl)phenyl]methylthio]-4-thiazolyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[2-[[4-(2-cyanophenyl)phenyl]methylsulfanyl]-1,3-thiazol-4-yl]acetate Traditional Name: 2-[2-[[4-(2-cyanophenyl)benzyl]thio]thiazol-4-yl]acetic acid ethyl ester Formula: C21H18N2O2S2 MolecularWeight: 394.50982

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC1=CSC(=N1)SCC2=CC=C(C=C2)C3=CC=CC=C3C#N

Isomeric SMILES

CCOC(=O)CC1=CSC(=N1)SCC2=CC=C(C=C2)C3=CC=CC=C3C#N

InChI

InChI=1S/C21H18N2O2S2/c1-2-25-20(24)11-18-14-27-21(23-18)26-13-15-7-9-16(10-8-15)19-6-4-3-5-17(19)12-22/h3-10,14H,2,11,13H2,1H3