methyl 2-[(2Z)-2-(5-chloranylthiophen-2-yl)sulfonylimino-6-methylsulfanyl-1,3-benzothiazol-3-yl]ethanoate

Systemtic Name: methyl 2-[(2Z)-2-(5-chloranylthiophen-2-yl)sulfonylimino-6-methylsulfanyl-1,3-benzothiazol-3-yl]ethanoate Openeye Name: methyl 2-[(2Z)-2-[(5-chloro-2-thienyl)sulfonylimino]-6-methylsulfanyl-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[(2Z)-2-[(5-chloro-2-thiophenyl)sulfonylimino]-6-(methylthio)-1,3-benzothiazol-3-yl]acetic acid methyl ester IUPAC Name: methyl 2-[(2Z)-2-(5-chlorothiophen-2-yl)sulfonylimino-6-methylsulfanyl-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[(2Z)-2-[(5-chloro-2-thienyl)sulfonylimino]-6-(methylthio)-1,3-benzothiazol-3-yl]acetic acid methyl ester Formula: C15H13ClN2O4S4 MolecularWeight: 448.98772

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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(S3)Cl

Isomeric SMILES

COC(=O)CN\1C2=C(C=C(C=C2)SC)S/C1=N\S(=O)(=O)C3=CC=C(S3)Cl

InChI

InChI=1S/C15H13ClN2O4S4/c1-22-13(19)8-18-10-4-3-9(23-2)7-11(10)24-15(18)17-26(20,21)14-6-5-12(16)25-14/h3-7H,8H2,1-2H3/b17-15-