methyl 2-[[4-(3-chloranyl-4-cyano-1,2-thiazol-5-yl)phenyl]methylsulfanyl]ethanoate

Systemtic Name: methyl 2-[[4-(3-chloranyl-4-cyano-1,2-thiazol-5-yl)phenyl]methylsulfanyl]ethanoate Openeye Name: methyl 2-[[4-(3-chloro-4-cyano-isothiazol-5-yl)phenyl]methylsulfanyl]acetate CAS Name: 2-[[4-(3-chloro-4-cyano-5-isothiazolyl)phenyl]methylthio]acetic acid methyl ester IUPAC Name: methyl 2-[[4-(3-chloro-4-cyano-1,2-thiazol-5-yl)phenyl]methylsulfanyl]acetate Traditional Name: 2-[[4-(3-chloro-4-cyano-isothiazol-5-yl)benzyl]thio]acetic acid methyl ester Formula: C14H11ClN2O2S2 MolecularWeight: 338.83234

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CSCC1=CC=C(C=C1)C2=C(C(=NS2)Cl)C#N

Isomeric SMILES

COC(=O)CSCC1=CC=C(C=C1)C2=C(C(=NS2)Cl)C#N

InChI

InChI=1S/C14H11ClN2O2S2/c1-19-12(18)8-20-7-9-2-4-10(5-3-9)13-11(6-16)14(15)17-21-13/h2-5H,7-8H2,1H3