methyl 2-[2-[4-(4-chlorophenyl)sulfanylbutanoylimino]-6-sulfamoyl-1,3-benzothiazol-3-yl]ethanoate

Systemtic Name: methyl 2-[2-[4-(4-chlorophenyl)sulfanylbutanoylimino]-6-sulfamoyl-1,3-benzothiazol-3-yl]ethanoate Openeye Name: methyl 2-[2-[4-(4-chlorophenyl)sulfanylbutanoylimino]-6-sulfamoyl-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[2-[4-[(4-chlorophenyl)thio]-1-oxobutyl]imino-6-sulfamoyl-1,3-benzothiazol-3-yl]acetic acid methyl ester IUPAC Name: methyl 2-[2-[4-(4-chlorophenyl)sulfanylbutanoylimino]-6-sulfamoyl-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[2-[4-[(4-chlorophenyl)thio]butanoylimino]-6-sulfamoyl-1,3-benzothiazol-3-yl]acetic acid methyl ester Formula: C20H20ClN3O5S3 MolecularWeight: 514.0379

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CN1C2=C(C=C(C=C2)S(=O)(=O)N)SC1=NC(=O)CCCSC3=CC=C(C=C3)Cl

Isomeric SMILES

COC(=O)CN1C2=C(C=C(C=C2)S(=O)(=O)N)SC1=NC(=O)CCCSC3=CC=C(C=C3)Cl

InChI

InChI=1S/C20H20ClN3O5S3/c1-29-19(26)12-24-16-9-8-15(32(22,27)28)11-17(16)31-20(24)23-18(25)3-2-10-30-14-6-4-13(21)5-7-14/h4-9,11H,2-3,10,12H2,1H3,(H2,22,27,28)