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

Systemtic Name: methyl 2-[2-[4-(4-methylphenyl)sulfanylbutanoylimino]-6-methylsulfonyl-1,3-benzothiazol-3-yl]ethanoate Openeye Name: methyl 2-[6-methylsulfonyl-2-[4-(p-tolylsulfanyl)butanoylimino]-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[2-[4-[(4-methylphenyl)thio]-1-oxobutyl]imino-6-methylsulfonyl-1,3-benzothiazol-3-yl]acetic acid methyl ester IUPAC Name: methyl 2-[2-[4-(4-methylphenyl)sulfanylbutanoylimino]-6-methylsulfonyl-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[6-mesyl-2-[4-(p-tolylthio)butanoylimino]-1,3-benzothiazol-3-yl]acetic acid methyl ester Formula: C22H24N2O5S3 MolecularWeight: 492.63136

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H24N2O5S3/c1-15-6-8-16(9-7-15)30-12-4-5-20(25)23-22-24(14-21(26)29-2)18-11-10-17(32(3,27)28)13-19(18)31-22/h6-11,13H,4-5,12,14H2,1-3H3