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

Systemtic Name: ethyl 2-[(2Z)-2-(phenylsulfonylimino)-6-propan-2-yl-1,3-benzothiazol-3-yl]ethanoate Openeye Name: ethyl 2-[(2Z)-2-(benzenesulfonylimino)-6-isopropyl-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[(2Z)-2-(benzenesulfonylimino)-6-propan-2-yl-1,3-benzothiazol-3-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[(2Z)-2-(benzenesulfonylimino)-6-propan-2-yl-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[(2Z)-2-besylimino-6-isopropyl-1,3-benzothiazol-3-yl]acetic acid ethyl ester Formula: C20H22N2O4S2 MolecularWeight: 418.52968

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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=CC=C3

Isomeric SMILES

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

InChI

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