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

Systemtic Name: methyl 2-[(2Z)-2-(4-chlorophenyl)sulfonylimino-6-methylsulfanyl-1,3-benzothiazol-3-yl]ethanoate Openeye Name: methyl 2-[(2Z)-2-(4-chlorophenyl)sulfonylimino-6-methylsulfanyl-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[(2Z)-2-(4-chlorophenyl)sulfonylimino-6-(methylthio)-1,3-benzothiazol-3-yl]acetic acid methyl ester IUPAC Name: methyl 2-[(2Z)-2-(4-chlorophenyl)sulfonylimino-6-methylsulfanyl-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[(2Z)-2-(4-chlorophenyl)sulfonylimino-6-(methylthio)-1,3-benzothiazol-3-yl]acetic acid methyl ester Formula: C17H15ClN2O4S3 MolecularWeight: 442.96

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

COC(=O)CN\1C2=C(C=C(C=C2)SC)S/C1=N\S(=O)(=O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C17H15ClN2O4S3/c1-24-16(21)10-20-14-8-5-12(25-2)9-15(14)26-17(20)19-27(22,23)13-6-3-11(18)4-7-13/h3-9H,10H2,1-2H3/b19-17-