ethyl 2-[6-chloranyl-2-(4-phenylsulfanylbutanoylimino)-1,3-benzothiazol-3-yl]ethanoate

Systemtic Name: ethyl 2-[6-chloranyl-2-(4-phenylsulfanylbutanoylimino)-1,3-benzothiazol-3-yl]ethanoate Openeye Name: ethyl 2-[6-chloro-2-(4-phenylsulfanylbutanoylimino)-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[6-chloro-2-[1-oxo-4-(phenylthio)butyl]imino-1,3-benzothiazol-3-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[6-chloro-2-(4-phenylsulfanylbutanoylimino)-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[6-chloro-2-[4-(phenylthio)butanoylimino]-1,3-benzothiazol-3-yl]acetic acid ethyl ester Formula: C21H21ClN2O3S2 MolecularWeight: 448.98604

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1C2=C(C=C(C=C2)Cl)SC1=NC(=O)CCCSC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)CN1C2=C(C=C(C=C2)Cl)SC1=NC(=O)CCCSC3=CC=CC=C3

InChI

InChI=1S/C21H21ClN2O3S2/c1-2-27-20(26)14-24-17-11-10-15(22)13-18(17)29-21(24)23-19(25)9-6-12-28-16-7-4-3-5-8-16/h3-5,7-8,10-11,13H,2,6,9,12,14H2,1H3