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

Systemtic Name: ethyl 2-[5,7-dimethyl-2-(2-phenylethanoylimino)-1,3-benzothiazol-3-yl]ethanoate Openeye Name: ethyl 2-[5,7-dimethyl-2-(2-phenylacetyl)imino-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[5,7-dimethyl-2-(1-oxo-2-phenylethyl)imino-1,3-benzothiazol-3-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[5,7-dimethyl-2-(2-phenylacetyl)imino-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[5,7-dimethyl-2-(2-phenylacetyl)imino-1,3-benzothiazol-3-yl]acetic acid ethyl ester Formula: C21H22N2O3S MolecularWeight: 382.47598

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22N2O3S/c1-4-26-19(25)13-23-17-11-14(2)10-15(3)20(17)27-21(23)22-18(24)12-16-8-6-5-7-9-16/h5-11H,4,12-13H2,1-3H3