methyl 2-[5,7-dimethyl-2-[4-(4-methylphenyl)sulfanylbutanoylimino]-1,3-benzothiazol-3-yl]ethanoate

Systemtic Name: methyl 2-[5,7-dimethyl-2-[4-(4-methylphenyl)sulfanylbutanoylimino]-1,3-benzothiazol-3-yl]ethanoate Openeye Name: methyl 2-[5,7-dimethyl-2-[4-(p-tolylsulfanyl)butanoylimino]-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[5,7-dimethyl-2-[4-[(4-methylphenyl)thio]-1-oxobutyl]imino-1,3-benzothiazol-3-yl]acetic acid methyl ester IUPAC Name: methyl 2-[5,7-dimethyl-2-[4-(4-methylphenyl)sulfanylbutanoylimino]-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[5,7-dimethyl-2-[4-(p-tolylthio)butanoylimino]-1,3-benzothiazol-3-yl]acetic acid methyl ester Formula: C23H26N2O3S2 MolecularWeight: 442.59414

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCCCC(=O)N=C2N(C3=CC(=CC(=C3S2)C)C)CC(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)SCCCC(=O)N=C2N(C3=CC(=CC(=C3S2)C)C)CC(=O)OC

InChI

InChI=1S/C23H26N2O3S2/c1-15-7-9-18(10-8-15)29-11-5-6-20(26)24-23-25(14-21(27)28-4)19-13-16(2)12-17(3)22(19)30-23/h7-10,12-13H,5-6,11,14H2,1-4H3