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

Systemtic Name: methyl 3-[2-(4-dimethylaminophenyl)carbonylimino-6-sulfamoyl-1,3-benzothiazol-3-yl]propanoate Openeye Name: methyl 3-[2-[4-(dimethylamino)benzoyl]imino-6-sulfamoyl-1,3-benzothiazol-3-yl]propanoate CAS Name: 3-[2-[(4-dimethylaminophenyl)-oxomethyl]imino-6-sulfamoyl-1,3-benzothiazol-3-yl]propanoic acid methyl ester IUPAC Name: methyl 3-[2-[4-(dimethylamino)benzoyl]imino-6-sulfamoyl-1,3-benzothiazol-3-yl]propanoate Traditional Name: 3-[2-[4-(dimethylamino)benzoyl]imino-6-sulfamoyl-1,3-benzothiazol-3-yl]propionic acid methyl ester Formula: C20H22N4O5S2 MolecularWeight: 462.54248

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=C(C=C1)C(=O)N=C2N(C3=C(S2)C=C(C=C3)S(=O)(=O)N)CCC(=O)OC

Isomeric SMILES

CN(C)C1=CC=C(C=C1)C(=O)N=C2N(C3=C(S2)C=C(C=C3)S(=O)(=O)N)CCC(=O)OC

InChI

InChI=1S/C20H22N4O5S2/c1-23(2)14-6-4-13(5-7-14)19(26)22-20-24(11-10-18(25)29-3)16-9-8-15(31(21,27)28)12-17(16)30-20/h4-9,12H,10-11H2,1-3H3,(H2,21,27,28)