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

Systemtic Name: ethyl 2-[6-methylsulfanyl-2-(3-phenylpropanoylimino)-1,3-benzothiazol-3-yl]ethanoate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C21H22N2O3S2 MolecularWeight: 414.54098

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22N2O3S2/c1-3-26-20(25)14-23-17-11-10-16(27-2)13-18(17)28-21(23)22-19(24)12-9-15-7-5-4-6-8-15/h4-8,10-11,13H,3,9,12,14H2,1-2H3