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

Systemtic Name: methyl 2-[6-chloranyl-2-[4-(phenylsulfonyl)butanoylimino]-1,3-benzothiazol-3-yl]ethanoate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C20H19ClN2O5S2 MolecularWeight: 466.95826

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H19ClN2O5S2/c1-28-19(25)13-23-16-10-9-14(21)12-17(16)29-20(23)22-18(24)8-5-11-30(26,27)15-6-3-2-4-7-15/h2-4,6-7,9-10,12H,5,8,11,13H2,1H3