ethyl 2-[5,7-dimethyl-2-(3-phenylpropanoylimino)-1,3-benzothiazol-3-yl]ethanoate

Systemtic Name: ethyl 2-[5,7-dimethyl-2-(3-phenylpropanoylimino)-1,3-benzothiazol-3-yl]ethanoate Openeye Name: ethyl 2-[5,7-dimethyl-2-(3-phenylpropanoylimino)-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[5,7-dimethyl-2-(1-oxo-3-phenylpropyl)imino-1,3-benzothiazol-3-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[5,7-dimethyl-2-(3-phenylpropanoylimino)-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-(2-hydrocinnamoylimino-5,7-dimethyl-1,3-benzothiazol-3-yl)acetic acid ethyl ester Formula: C22H24N2O3S MolecularWeight: 396.50256

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1C2=CC(=CC(=C2SC1=NC(=O)CCC3=CC=CC=C3)C)C

Isomeric SMILES

CCOC(=O)CN1C2=CC(=CC(=C2SC1=NC(=O)CCC3=CC=CC=C3)C)C

InChI

InChI=1S/C22H24N2O3S/c1-4-27-20(26)14-24-18-13-15(2)12-16(3)21(18)28-22(24)23-19(25)11-10-17-8-6-5-7-9-17/h5-9,12-13H,4,10-11,14H2,1-3H3