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

Systemtic Name: methyl 2-[2-[4-(4-chlorophenyl)sulfanylbutanoylimino]-6-methylsulfonyl-1,3-benzothiazol-3-yl]ethanoate Openeye Name: methyl 2-[2-[4-(4-chlorophenyl)sulfanylbutanoylimino]-6-methylsulfonyl-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[2-[4-[(4-chlorophenyl)thio]-1-oxobutyl]imino-6-methylsulfonyl-1,3-benzothiazol-3-yl]acetic acid methyl ester IUPAC Name: methyl 2-[2-[4-(4-chlorophenyl)sulfanylbutanoylimino]-6-methylsulfonyl-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[2-[4-[(4-chlorophenyl)thio]butanoylimino]-6-mesyl-1,3-benzothiazol-3-yl]acetic acid methyl ester Formula: C21H21ClN2O5S3 MolecularWeight: 513.04984

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21ClN2O5S3/c1-29-20(26)13-24-17-10-9-16(32(2,27)28)12-18(17)31-21(24)23-19(25)4-3-11-30-15-7-5-14(22)6-8-15/h5-10,12H,3-4,11,13H2,1-2H3