ethyl 2-[2-[4-(phenylsulfonyl)butanoylimino]-1,3-benzothiazol-3-yl]ethanoate

Systemtic Name: ethyl 2-[2-[4-(phenylsulfonyl)butanoylimino]-1,3-benzothiazol-3-yl]ethanoate Openeye Name: ethyl 2-[2-[4-(benzenesulfonyl)butanoylimino]-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[2-[4-(benzenesulfonyl)-1-oxobutyl]imino-1,3-benzothiazol-3-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[2-[4-(benzenesulfonyl)butanoylimino]-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[2-(4-besylbutanoylimino)-1,3-benzothiazol-3-yl]acetic acid ethyl ester Formula: C21H22N2O5S2 MolecularWeight: 446.53978

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22N2O5S2/c1-2-28-20(25)15-23-17-11-6-7-12-18(17)29-21(23)22-19(24)13-8-14-30(26,27)16-9-4-3-5-10-16/h3-7,9-12H,2,8,13-15H2,1H3