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

Systemtic Name: methyl 2-[6-chloranyl-2-[4-(4-methylphenyl)sulfonylbutanoylimino]-1,3-benzothiazol-3-yl]ethanoate Openeye Name: methyl 2-[6-chloro-2-[4-(p-tolylsulfonyl)butanoylimino]-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[6-chloro-2-[4-(4-methylphenyl)sulfonyl-1-oxobutyl]imino-1,3-benzothiazol-3-yl]acetic acid methyl ester IUPAC Name: methyl 2-[6-chloro-2-[4-(4-methylphenyl)sulfonylbutanoylimino]-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[6-chloro-2-(4-tosylbutanoylimino)-1,3-benzothiazol-3-yl]acetic acid methyl ester Formula: C21H21ClN2O5S2 MolecularWeight: 480.98484

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21ClN2O5S2/c1-14-5-8-16(9-6-14)31(27,28)11-3-4-19(25)23-21-24(13-20(26)29-2)17-10-7-15(22)12-18(17)30-21/h5-10,12H,3-4,11,13H2,1-2H3