ethyl 2-[2-(2-methylsulfanylphenyl)carbonylimino-6-methylsulfonyl-1,3-benzothiazol-3-yl]ethanoate

Systemtic Name: ethyl 2-[2-(2-methylsulfanylphenyl)carbonylimino-6-methylsulfonyl-1,3-benzothiazol-3-yl]ethanoate Openeye Name: ethyl 2-[2-(2-methylsulfanylbenzoyl)imino-6-methylsulfonyl-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[6-methylsulfonyl-2-[[2-(methylthio)phenyl]-oxomethyl]imino-1,3-benzothiazol-3-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[2-(2-methylsulfanylbenzoyl)imino-6-methylsulfonyl-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[6-mesyl-2-[2-(methylthio)benzoyl]imino-1,3-benzothiazol-3-yl]acetic acid ethyl ester Formula: C20H20N2O5S3 MolecularWeight: 464.5782

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1C2=C(C=C(C=C2)S(=O)(=O)C)SC1=NC(=O)C3=CC=CC=C3SC

Isomeric SMILES

CCOC(=O)CN1C2=C(C=C(C=C2)S(=O)(=O)C)SC1=NC(=O)C3=CC=CC=C3SC

InChI

InChI=1S/C20H20N2O5S3/c1-4-27-18(23)12-22-15-10-9-13(30(3,25)26)11-17(15)29-20(22)21-19(24)14-7-5-6-8-16(14)28-2/h5-11H,4,12H2,1-3H3