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

Systemtic Name: ethyl 2-[(2Z)-2-(4-methylphenyl)sulfonylimino-6-propan-2-yl-1,3-benzothiazol-3-yl]ethanoate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C21H24N2O4S2 MolecularWeight: 432.55626

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1C2=C(C=C(C=C2)C(C)C)SC1=NS(=O)(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CCOC(=O)CN\1C2=C(C=C(C=C2)C(C)C)S/C1=N\S(=O)(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C21H24N2O4S2/c1-5-27-20(24)13-23-18-11-8-16(14(2)3)12-19(18)28-21(23)22-29(25,26)17-9-6-15(4)7-10-17/h6-12,14H,5,13H2,1-4H3/b22-21-