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

Systemtic Name: ethyl 2-[6-ethoxy-2-[3-(phenylmethyl)sulfonylpropanoylimino]-1,3-benzothiazol-3-yl]ethanoate Openeye Name: ethyl 2-[2-(3-benzylsulfonylpropanoylimino)-6-ethoxy-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[6-ethoxy-2-[1-oxo-3-(phenylmethyl)sulfonylpropyl]imino-1,3-benzothiazol-3-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[2-(3-benzylsulfonylpropanoylimino)-6-ethoxy-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[2-(3-benzylsulfonylpropanoylimino)-6-ethoxy-1,3-benzothiazol-3-yl]acetic acid ethyl ester Formula: C23H26N2O6S2 MolecularWeight: 490.59234

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N(C(=NC(=O)CCS(=O)(=O)CC3=CC=CC=C3)S2)CC(=O)OCC

Isomeric SMILES

CCOC1=CC2=C(C=C1)N(C(=NC(=O)CCS(=O)(=O)CC3=CC=CC=C3)S2)CC(=O)OCC

InChI

InChI=1S/C23H26N2O6S2/c1-3-30-18-10-11-19-20(14-18)32-23(25(19)15-22(27)31-4-2)24-21(26)12-13-33(28,29)16-17-8-6-5-7-9-17/h5-11,14H,3-4,12-13,15-16H2,1-2H3