methyl 2-[4,7-dimethoxy-2-[3-(4-methoxyphenyl)sulfanylpropanoylimino]-1,3-benzothiazol-3-yl]ethanoate

Systemtic Name: methyl 2-[4,7-dimethoxy-2-[3-(4-methoxyphenyl)sulfanylpropanoylimino]-1,3-benzothiazol-3-yl]ethanoate Openeye Name: methyl 2-[4,7-dimethoxy-2-[3-(4-methoxyphenyl)sulfanylpropanoylimino]-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[4,7-dimethoxy-2-[3-[(4-methoxyphenyl)thio]-1-oxopropyl]imino-1,3-benzothiazol-3-yl]acetic acid methyl ester IUPAC Name: methyl 2-[4,7-dimethoxy-2-[3-(4-methoxyphenyl)sulfanylpropanoylimino]-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[4,7-dimethoxy-2-[3-[(4-methoxyphenyl)thio]propanoylimino]-1,3-benzothiazol-3-yl]acetic acid methyl ester Formula: C22H24N2O6S2 MolecularWeight: 476.56576

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)SCCC(=O)N=C2N(C3=C(C=CC(=C3S2)OC)OC)CC(=O)OC

Isomeric SMILES

COC1=CC=C(C=C1)SCCC(=O)N=C2N(C3=C(C=CC(=C3S2)OC)OC)CC(=O)OC

InChI

InChI=1S/C22H24N2O6S2/c1-27-14-5-7-15(8-6-14)31-12-11-18(25)23-22-24(13-19(26)30-4)20-16(28-2)9-10-17(29-3)21(20)32-22/h5-10H,11-13H2,1-4H3