methyl 2-[6-methylsulfanyl-2-(3-phenylpropanoylimino)-1,3-benzothiazol-3-yl]ethanoate

Systemtic Name: methyl 2-[6-methylsulfanyl-2-(3-phenylpropanoylimino)-1,3-benzothiazol-3-yl]ethanoate Openeye Name: methyl 2-[6-methylsulfanyl-2-(3-phenylpropanoylimino)-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[6-(methylthio)-2-(1-oxo-3-phenylpropyl)imino-1,3-benzothiazol-3-yl]acetic acid methyl ester IUPAC Name: methyl 2-[6-methylsulfanyl-2-(3-phenylpropanoylimino)-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[2-hydrocinnamoylimino-6-(methylthio)-1,3-benzothiazol-3-yl]acetic acid methyl ester Formula: C20H20N2O3S2 MolecularWeight: 400.5144

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CN1C2=C(C=C(C=C2)SC)SC1=NC(=O)CCC3=CC=CC=C3

Isomeric SMILES

COC(=O)CN1C2=C(C=C(C=C2)SC)SC1=NC(=O)CCC3=CC=CC=C3

InChI

InChI=1S/C20H20N2O3S2/c1-25-19(24)13-22-16-10-9-15(26-2)12-17(16)27-20(22)21-18(23)11-8-14-6-4-3-5-7-14/h3-7,9-10,12H,8,11,13H2,1-2H3