ethyl 2-[6-ethoxy-2-(3-phenoxypropanoylimino)-1,3-benzothiazol-3-yl]ethanoate

Systemtic Name: ethyl 2-[6-ethoxy-2-(3-phenoxypropanoylimino)-1,3-benzothiazol-3-yl]ethanoate Openeye Name: ethyl 2-[6-ethoxy-2-(3-phenoxypropanoylimino)-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[6-ethoxy-2-(1-oxo-3-phenoxypropyl)imino-1,3-benzothiazol-3-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[6-ethoxy-2-(3-phenoxypropanoylimino)-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[6-ethoxy-2-(3-phenoxypropanoylimino)-1,3-benzothiazol-3-yl]acetic acid ethyl ester Formula: C22H24N2O5S MolecularWeight: 428.50136

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N(C(=NC(=O)CCOC3=CC=CC=C3)S2)CC(=O)OCC

Isomeric SMILES

CCOC1=CC2=C(C=C1)N(C(=NC(=O)CCOC3=CC=CC=C3)S2)CC(=O)OCC

InChI

InChI=1S/C22H24N2O5S/c1-3-27-17-10-11-18-19(14-17)30-22(24(18)15-21(26)28-4-2)23-20(25)12-13-29-16-8-6-5-7-9-16/h5-11,14H,3-4,12-13,15H2,1-2H3