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

Systemtic Name: methyl 3-[2-(2,4-dichlorophenyl)carbonylimino-6-sulfamoyl-1,3-benzothiazol-3-yl]propanoate Openeye Name: methyl 3-[2-(2,4-dichlorobenzoyl)imino-6-sulfamoyl-1,3-benzothiazol-3-yl]propanoate CAS Name: 3-[2-[(2,4-dichlorophenyl)-oxomethyl]imino-6-sulfamoyl-1,3-benzothiazol-3-yl]propanoic acid methyl ester IUPAC Name: methyl 3-[2-(2,4-dichlorobenzoyl)imino-6-sulfamoyl-1,3-benzothiazol-3-yl]propanoate Traditional Name: 3-[2-(2,4-dichlorobenzoyl)imino-6-sulfamoyl-1,3-benzothiazol-3-yl]propionic acid methyl ester Formula: C18H15Cl2N3O5S2 MolecularWeight: 488.3648

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCN1C2=C(C=C(C=C2)S(=O)(=O)N)SC1=NC(=O)C3=C(C=C(C=C3)Cl)Cl

Isomeric SMILES

COC(=O)CCN1C2=C(C=C(C=C2)S(=O)(=O)N)SC1=NC(=O)C3=C(C=C(C=C3)Cl)Cl

InChI

InChI=1S/C18H15Cl2N3O5S2/c1-28-16(24)6-7-23-14-5-3-11(30(21,26)27)9-15(14)29-18(23)22-17(25)12-4-2-10(19)8-13(12)20/h2-5,8-9H,6-7H2,1H3,(H2,21,26,27)