ethyl 2-[2-[4-(phenylmethyl)sulfonylbutanoylimino]-1,3-benzothiazol-3-yl]ethanoate

Systemtic Name: ethyl 2-[2-[4-(phenylmethyl)sulfonylbutanoylimino]-1,3-benzothiazol-3-yl]ethanoate Openeye Name: ethyl 2-[2-(4-benzylsulfonylbutanoylimino)-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[2-[1-oxo-4-(phenylmethyl)sulfonylbutyl]imino-1,3-benzothiazol-3-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[2-(4-benzylsulfonylbutanoylimino)-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[2-(4-benzylsulfonylbutanoylimino)-1,3-benzothiazol-3-yl]acetic acid ethyl ester Formula: C22H24N2O5S2 MolecularWeight: 460.56636

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1C2=CC=CC=C2SC1=NC(=O)CCCS(=O)(=O)CC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)CN1C2=CC=CC=C2SC1=NC(=O)CCCS(=O)(=O)CC3=CC=CC=C3

InChI

InChI=1S/C22H24N2O5S2/c1-2-29-21(26)15-24-18-11-6-7-12-19(18)30-22(24)23-20(25)13-8-14-31(27,28)16-17-9-4-3-5-10-17/h3-7,9-12H,2,8,13-16H2,1H3