ethyl 2-[5,6-dimethoxy-2-[2-(4-methylsulfanylphenyl)ethanoylimino]-1,3-benzothiazol-3-yl]ethanoate

Systemtic Name: ethyl 2-[5,6-dimethoxy-2-[2-(4-methylsulfanylphenyl)ethanoylimino]-1,3-benzothiazol-3-yl]ethanoate Openeye Name: ethyl 2-[5,6-dimethoxy-2-[2-(4-methylsulfanylphenyl)acetyl]imino-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[5,6-dimethoxy-2-[2-[4-(methylthio)phenyl]-1-oxoethyl]imino-1,3-benzothiazol-3-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[5,6-dimethoxy-2-[2-(4-methylsulfanylphenyl)acetyl]imino-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[5,6-dimethoxy-2-[2-[4-(methylthio)phenyl]acetyl]imino-1,3-benzothiazol-3-yl]acetic acid ethyl ester Formula: C22H24N2O5S2 MolecularWeight: 460.56636

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1C2=CC(=C(C=C2SC1=NC(=O)CC3=CC=C(C=C3)SC)OC)OC

Isomeric SMILES

CCOC(=O)CN1C2=CC(=C(C=C2SC1=NC(=O)CC3=CC=C(C=C3)SC)OC)OC

InChI

InChI=1S/C22H24N2O5S2/c1-5-29-21(26)13-24-16-11-17(27-2)18(28-3)12-19(16)31-22(24)23-20(25)10-14-6-8-15(30-4)9-7-14/h6-9,11-12H,5,10,13H2,1-4H3