methyl 2-[6-chloranyl-2-[4-(4-methylphenyl)sulfanylbutanoylimino]-1,3-benzothiazol-3-yl]ethanoate

Systemtic Name: methyl 2-[6-chloranyl-2-[4-(4-methylphenyl)sulfanylbutanoylimino]-1,3-benzothiazol-3-yl]ethanoate Openeye Name: methyl 2-[6-chloro-2-[4-(p-tolylsulfanyl)butanoylimino]-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[6-chloro-2-[4-[(4-methylphenyl)thio]-1-oxobutyl]imino-1,3-benzothiazol-3-yl]acetic acid methyl ester IUPAC Name: methyl 2-[6-chloro-2-[4-(4-methylphenyl)sulfanylbutanoylimino]-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[6-chloro-2-[4-(p-tolylthio)butanoylimino]-1,3-benzothiazol-3-yl]acetic acid methyl ester Formula: C21H21ClN2O3S2 MolecularWeight: 448.98604

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCCCC(=O)N=C2N(C3=C(S2)C=C(C=C3)Cl)CC(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)SCCCC(=O)N=C2N(C3=C(S2)C=C(C=C3)Cl)CC(=O)OC

InChI

InChI=1S/C21H21ClN2O3S2/c1-14-5-8-16(9-6-14)28-11-3-4-19(25)23-21-24(13-20(26)27-2)17-10-7-15(22)12-18(17)29-21/h5-10,12H,3-4,11,13H2,1-2H3