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

Systemtic Name: methyl 2-[2-[4-(4-chlorophenyl)sulfonylbutanoylimino]-6-methylsulfanyl-1,3-benzothiazol-3-yl]ethanoate Openeye Name: methyl 2-[2-[4-(4-chlorophenyl)sulfonylbutanoylimino]-6-methylsulfanyl-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[2-[4-(4-chlorophenyl)sulfonyl-1-oxobutyl]imino-6-(methylthio)-1,3-benzothiazol-3-yl]acetic acid methyl ester IUPAC Name: methyl 2-[2-[4-(4-chlorophenyl)sulfonylbutanoylimino]-6-methylsulfanyl-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[2-[4-(4-chlorophenyl)sulfonylbutanoylimino]-6-(methylthio)-1,3-benzothiazol-3-yl]acetic acid methyl ester Formula: C21H21ClN2O5S3 MolecularWeight: 513.04984

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21ClN2O5S3/c1-29-20(26)13-24-17-10-7-15(30-2)12-18(17)31-21(24)23-19(25)4-3-11-32(27,28)16-8-5-14(22)6-9-16/h5-10,12H,3-4,11,13H2,1-2H3