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

Systemtic Name: ethyl 3-(2-propanoylimino-6-sulfamoyl-1,3-benzothiazol-3-yl)propanoate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C15H19N3O5S2 MolecularWeight: 385.45846

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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)OCC

Isomeric SMILES

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

InChI

InChI=1S/C15H19N3O5S2/c1-3-13(19)17-15-18(8-7-14(20)23-4-2)11-6-5-10(25(16,21)22)9-12(11)24-15/h5-6,9H,3-4,7-8H2,1-2H3,(H2,16,21,22)