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

Systemtic Name: [2-oxidanylidene-2-[(4-sulfamoylphenyl)amino]ethyl] 3-(1,3-benzothiazol-2-yl)propanoate Openeye Name: [2-oxo-2-(4-sulfamoylanilino)ethyl] 3-(1,3-benzothiazol-2-yl)propanoate CAS Name: 3-(1,3-benzothiazol-2-yl)propanoic acid [2-oxo-2-(4-sulfamoylanilino)ethyl] ester IUPAC Name: [2-oxo-2-(4-sulfamoylanilino)ethyl] 3-(1,3-benzothiazol-2-yl)propanoate Traditional Name: 3-(1,3-benzothiazol-2-yl)propionic acid [2-keto-2-(4-sulfamoylanilino)ethyl] ester Formula: C18H17N3O5S2 MolecularWeight: 419.47468

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)CCC(=O)OCC(=O)NC3=CC=C(C=C3)S(=O)(=O)N

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)CCC(=O)OCC(=O)NC3=CC=C(C=C3)S(=O)(=O)N

InChI

InChI=1S/C18H17N3O5S2/c19-28(24,25)13-7-5-12(6-8-13)20-16(22)11-26-18(23)10-9-17-21-14-3-1-2-4-15(14)27-17/h1-8H,9-11H2,(H,20,22)(H2,19,24,25)