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

Systemtic Name: methyl 2-[2-(4-methylsulfanylphenyl)carbonylimino-6-sulfamoyl-1,3-benzothiazol-3-yl]ethanoate Openeye Name: methyl 2-[2-(4-methylsulfanylbenzoyl)imino-6-sulfamoyl-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[2-[[4-(methylthio)phenyl]-oxomethyl]imino-6-sulfamoyl-1,3-benzothiazol-3-yl]acetic acid methyl ester IUPAC Name: methyl 2-[2-(4-methylsulfanylbenzoyl)imino-6-sulfamoyl-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[2-[4-(methylthio)benzoyl]imino-6-sulfamoyl-1,3-benzothiazol-3-yl]acetic acid methyl ester Formula: C18H17N3O5S3 MolecularWeight: 451.53968

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H17N3O5S3/c1-26-16(22)10-21-14-8-7-13(29(19,24)25)9-15(14)28-18(21)20-17(23)11-3-5-12(27-2)6-4-11/h3-9H,10H2,1-2H3,(H2,19,24,25)