methyl 3-[2-(2-methylpropanoylimino)-6-sulfamoyl-1,3-benzothiazol-3-yl]propanoate

Systemtic Name: methyl 3-[2-(2-methylpropanoylimino)-6-sulfamoyl-1,3-benzothiazol-3-yl]propanoate Openeye Name: methyl 3-[2-(2-methylpropanoylimino)-6-sulfamoyl-1,3-benzothiazol-3-yl]propanoate CAS Name: 3-[2-(2-methyl-1-oxopropyl)imino-6-sulfamoyl-1,3-benzothiazol-3-yl]propanoic acid methyl ester IUPAC Name: methyl 3-[2-(2-methylpropanoylimino)-6-sulfamoyl-1,3-benzothiazol-3-yl]propanoate Traditional Name: 3-(2-isobutyrylimino-6-sulfamoyl-1,3-benzothiazol-3-yl)propionic acid methyl ester Formula: C15H19N3O5S2 MolecularWeight: 385.45846

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H19N3O5S2/c1-9(2)14(20)17-15-18(7-6-13(19)23-3)11-5-4-10(25(16,21)22)8-12(11)24-15/h4-5,8-9H,6-7H2,1-3H3,(H2,16,21,22)