methyl 2-[(2Z)-2-(4-methylphenyl)sulfonylimino-6-propan-2-yl-1,3-benzothiazol-3-yl]ethanoate

Systemtic Name: methyl 2-[(2Z)-2-(4-methylphenyl)sulfonylimino-6-propan-2-yl-1,3-benzothiazol-3-yl]ethanoate Openeye Name: methyl 2-[(2Z)-6-isopropyl-2-(p-tolylsulfonylimino)-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[(2Z)-2-(4-methylphenyl)sulfonylimino-6-propan-2-yl-1,3-benzothiazol-3-yl]acetic acid methyl ester IUPAC Name: methyl 2-[(2Z)-2-(4-methylphenyl)sulfonylimino-6-propan-2-yl-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[(2Z)-6-isopropyl-2-tosylimino-1,3-benzothiazol-3-yl]acetic acid methyl ester Formula: C20H22N2O4S2 MolecularWeight: 418.52968

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N=C2N(C3=C(S2)C=C(C=C3)C(C)C)CC(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)/N=C\2/N(C3=C(S2)C=C(C=C3)C(C)C)CC(=O)OC

InChI

InChI=1S/C20H22N2O4S2/c1-13(2)15-7-10-17-18(11-15)27-20(22(17)12-19(23)26-4)21-28(24,25)16-8-5-14(3)6-9-16/h5-11,13H,12H2,1-4H3/b21-20-