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

Systemtic Name: methyl 2-[6-methyl-2-[2-(4-propan-2-ylsulfonylphenyl)ethanoylimino]-1,3-benzothiazol-3-yl]ethanoate Openeye Name: methyl 2-[2-[2-(4-isopropylsulfonylphenyl)acetyl]imino-6-methyl-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[6-methyl-2-[1-oxo-2-(4-propan-2-ylsulfonylphenyl)ethyl]imino-1,3-benzothiazol-3-yl]acetic acid methyl ester IUPAC Name: methyl 2-[6-methyl-2-[2-(4-propan-2-ylsulfonylphenyl)acetyl]imino-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[2-[2-(4-isopropylsulfonylphenyl)acetyl]imino-6-methyl-1,3-benzothiazol-3-yl]acetic acid methyl ester Formula: C22H24N2O5S2 MolecularWeight: 460.56636

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Descriptors Computed from Structure

Canonical SMILES:

CC1=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

CC1=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/C22H24N2O5S2/c1-14(2)31(27,28)17-8-6-16(7-9-17)12-20(25)23-22-24(13-21(26)29-4)18-10-5-15(3)11-19(18)30-22/h5-11,14H,12-13H2,1-4H3