methyl 2-[6-ethoxy-2-[2-(4-propan-2-ylsulfonylphenyl)ethanoylimino]-1,3-benzothiazol-3-yl]ethanoate

Systemtic Name: methyl 2-[6-ethoxy-2-[2-(4-propan-2-ylsulfonylphenyl)ethanoylimino]-1,3-benzothiazol-3-yl]ethanoate Openeye Name: methyl 2-[6-ethoxy-2-[2-(4-isopropylsulfonylphenyl)acetyl]imino-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[6-ethoxy-2-[1-oxo-2-(4-propan-2-ylsulfonylphenyl)ethyl]imino-1,3-benzothiazol-3-yl]acetic acid methyl ester IUPAC Name: methyl 2-[6-ethoxy-2-[2-(4-propan-2-ylsulfonylphenyl)acetyl]imino-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[6-ethoxy-2-[2-(4-isopropylsulfonylphenyl)acetyl]imino-1,3-benzothiazol-3-yl]acetic acid methyl 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)CC3=CC=C(C=C3)S(=O)(=O)C(C)C)S2)CC(=O)OC

Isomeric SMILES

CCOC1=CC2=C(C=C1)N(C(=NC(=O)CC3=CC=C(C=C3)S(=O)(=O)C(C)C)S2)CC(=O)OC

InChI

InChI=1S/C23H26N2O6S2/c1-5-31-17-8-11-19-20(13-17)32-23(25(19)14-22(27)30-4)24-21(26)12-16-6-9-18(10-7-16)33(28,29)15(2)3/h6-11,13,15H,5,12,14H2,1-4H3