ethyl 2-[6-chloranyl-2-[4-(phenylsulfonyl)butanoylimino]-1,3-benzothiazol-3-yl]ethanoate

Systemtic Name: ethyl 2-[6-chloranyl-2-[4-(phenylsulfonyl)butanoylimino]-1,3-benzothiazol-3-yl]ethanoate Openeye Name: ethyl 2-[2-[4-(benzenesulfonyl)butanoylimino]-6-chloro-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[2-[4-(benzenesulfonyl)-1-oxobutyl]imino-6-chloro-1,3-benzothiazol-3-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[2-[4-(benzenesulfonyl)butanoylimino]-6-chloro-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[2-(4-besylbutanoylimino)-6-chloro-1,3-benzothiazol-3-yl]acetic acid ethyl ester Formula: C21H21ClN2O5S2 MolecularWeight: 480.98484

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1C2=C(C=C(C=C2)Cl)SC1=NC(=O)CCCS(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)CN1C2=C(C=C(C=C2)Cl)SC1=NC(=O)CCCS(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C21H21ClN2O5S2/c1-2-29-20(26)14-24-17-11-10-15(22)13-18(17)30-21(24)23-19(25)9-6-12-31(27,28)16-7-4-3-5-8-16/h3-5,7-8,10-11,13H,2,6,9,12,14H2,1H3