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

Systemtic Name: ethyl 2-[6-chloranyl-2-[4-(4-methoxyphenyl)sulfanylbutanoylimino]-1,3-benzothiazol-3-yl]ethanoate Openeye Name: ethyl 2-[6-chloro-2-[4-(4-methoxyphenyl)sulfanylbutanoylimino]-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[6-chloro-2-[4-[(4-methoxyphenyl)thio]-1-oxobutyl]imino-1,3-benzothiazol-3-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[6-chloro-2-[4-(4-methoxyphenyl)sulfanylbutanoylimino]-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[6-chloro-2-[4-[(4-methoxyphenyl)thio]butanoylimino]-1,3-benzothiazol-3-yl]acetic acid ethyl ester Formula: C22H23ClN2O4S2 MolecularWeight: 479.01202

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H23ClN2O4S2/c1-3-29-21(27)14-25-18-11-6-15(23)13-19(18)31-22(25)24-20(26)5-4-12-30-17-9-7-16(28-2)8-10-17/h6-11,13H,3-5,12,14H2,1-2H3