methyl 3-(2-propanoylimino-6-sulfamoyl-1,3-benzothiazol-3-yl)propanoate

Systemtic Name: methyl 3-(2-propanoylimino-6-sulfamoyl-1,3-benzothiazol-3-yl)propanoate Openeye Name: methyl 3-(2-propanoylimino-6-sulfamoyl-1,3-benzothiazol-3-yl)propanoate CAS Name: 3-[2-(1-oxopropylimino)-6-sulfamoyl-1,3-benzothiazol-3-yl]propanoic acid methyl ester IUPAC Name: methyl 3-(2-propanoylimino-6-sulfamoyl-1,3-benzothiazol-3-yl)propanoate Traditional Name: 3-(2-propionylimino-6-sulfamoyl-1,3-benzothiazol-3-yl)propionic acid methyl ester Formula: C14H17N3O5S2 MolecularWeight: 371.43188

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)N=C1N(C2=C(S1)C=C(C=C2)S(=O)(=O)N)CCC(=O)OC

Isomeric SMILES

CCC(=O)N=C1N(C2=C(S1)C=C(C=C2)S(=O)(=O)N)CCC(=O)OC

InChI

InChI=1S/C14H17N3O5S2/c1-3-12(18)16-14-17(7-6-13(19)22-2)10-5-4-9(24(15,20)21)8-11(10)23-14/h4-5,8H,3,6-7H2,1-2H3,(H2,15,20,21)