[(2R)-1-oxidanylidene-1-[(4-sulfamoylphenyl)amino]propan-2-yl] 3-(1,3-benzothiazol-2-yl)propanoate

Systemtic Name: [(2R)-1-oxidanylidene-1-[(4-sulfamoylphenyl)amino]propan-2-yl] 3-(1,3-benzothiazol-2-yl)propanoate Openeye Name: [(1R)-1-methyl-2-oxo-2-(4-sulfamoylanilino)ethyl] 3-(1,3-benzothiazol-2-yl)propanoate CAS Name: 3-(1,3-benzothiazol-2-yl)propanoic acid [(2R)-1-oxo-1-(4-sulfamoylanilino)propan-2-yl] ester IUPAC Name: [(2R)-1-oxo-1-(4-sulfamoylanilino)propan-2-yl] 3-(1,3-benzothiazol-2-yl)propanoate Traditional Name: 3-(1,3-benzothiazol-2-yl)propionic acid [(1R)-2-keto-1-methyl-2-(4-sulfamoylanilino)ethyl] ester Formula: C19H19N3O5S2 MolecularWeight: 433.50126

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)S(=O)(=O)N)OC(=O)CCC2=NC3=CC=CC=C3S2

Isomeric SMILES

C[C@H](C(=O)NC1=CC=C(C=C1)S(=O)(=O)N)OC(=O)CCC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C19H19N3O5S2/c1-12(19(24)21-13-6-8-14(9-7-13)29(20,25)26)27-18(23)11-10-17-22-15-4-2-3-5-16(15)28-17/h2-9,12H,10-11H2,1H3,(H,21,24)(H2,20,25,26)/t12-/m1/s1