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

Systemtic Name: methyl 2-[2-[4-(4-methylphenyl)sulfonylbutanoylimino]-6-propan-2-yl-1,3-benzothiazol-3-yl]ethanoate Openeye Name: methyl 2-[6-isopropyl-2-[4-(p-tolylsulfonyl)butanoylimino]-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[2-[4-(4-methylphenyl)sulfonyl-1-oxobutyl]imino-6-propan-2-yl-1,3-benzothiazol-3-yl]acetic acid methyl ester IUPAC Name: methyl 2-[2-[4-(4-methylphenyl)sulfonylbutanoylimino]-6-propan-2-yl-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[6-isopropyl-2-(4-tosylbutanoylimino)-1,3-benzothiazol-3-yl]acetic acid methyl ester Formula: C24H28N2O5S2 MolecularWeight: 488.61952

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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)C(C)C)CC(=O)OC

Isomeric SMILES

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

InChI

InChI=1S/C24H28N2O5S2/c1-16(2)18-9-12-20-21(14-18)32-24(26(20)15-23(28)31-4)25-22(27)6-5-13-33(29,30)19-10-7-17(3)8-11-19/h7-12,14,16H,5-6,13,15H2,1-4H3