ethyl 2-[2-[2-(4-methylsulfanylphenyl)ethanoylimino]-6-sulfamoyl-1,3-benzothiazol-3-yl]ethanoate

Systemtic Name: ethyl 2-[2-[2-(4-methylsulfanylphenyl)ethanoylimino]-6-sulfamoyl-1,3-benzothiazol-3-yl]ethanoate Openeye Name: ethyl 2-[2-[2-(4-methylsulfanylphenyl)acetyl]imino-6-sulfamoyl-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[2-[2-[4-(methylthio)phenyl]-1-oxoethyl]imino-6-sulfamoyl-1,3-benzothiazol-3-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[2-[2-(4-methylsulfanylphenyl)acetyl]imino-6-sulfamoyl-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[2-[2-[4-(methylthio)phenyl]acetyl]imino-6-sulfamoyl-1,3-benzothiazol-3-yl]acetic acid ethyl ester Formula: C20H21N3O5S3 MolecularWeight: 479.59284

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1C2=C(C=C(C=C2)S(=O)(=O)N)SC1=NC(=O)CC3=CC=C(C=C3)SC

Isomeric SMILES

CCOC(=O)CN1C2=C(C=C(C=C2)S(=O)(=O)N)SC1=NC(=O)CC3=CC=C(C=C3)SC

InChI

InChI=1S/C20H21N3O5S3/c1-3-28-19(25)12-23-16-9-8-15(31(21,26)27)11-17(16)30-20(23)22-18(24)10-13-4-6-14(29-2)7-5-13/h4-9,11H,3,10,12H2,1-2H3,(H2,21,26,27)