ethyl 2-[(2Z)-6-methylsulfanyl-2-(phenylsulfonylimino)-1,3-benzothiazol-3-yl]ethanoate

Systemtic Name: ethyl 2-[(2Z)-6-methylsulfanyl-2-(phenylsulfonylimino)-1,3-benzothiazol-3-yl]ethanoate Openeye Name: ethyl 2-[(2Z)-2-(benzenesulfonylimino)-6-methylsulfanyl-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[(2Z)-2-(benzenesulfonylimino)-6-(methylthio)-1,3-benzothiazol-3-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[(2Z)-2-(benzenesulfonylimino)-6-methylsulfanyl-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[(2Z)-2-besylimino-6-(methylthio)-1,3-benzothiazol-3-yl]acetic acid ethyl ester Formula: C18H18N2O4S3 MolecularWeight: 422.54152

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18N2O4S3/c1-3-24-17(21)12-20-15-10-9-13(25-2)11-16(15)26-18(20)19-27(22,23)14-7-5-4-6-8-14/h4-11H,3,12H2,1-2H3/b19-18-