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

Systemtic Name: [2-oxidanylidene-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] 3-(1,3-benzothiazol-2-yl)propanoate Openeye Name: [2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] 3-(1,3-benzothiazol-2-yl)propanoate CAS Name: 3-(1,3-benzothiazol-2-yl)propanoic acid [2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] ester IUPAC Name: [2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] 3-(1,3-benzothiazol-2-yl)propanoate Traditional Name: 3-(1,3-benzothiazol-2-yl)propionic acid [2-keto-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] ester Formula: C20H21N3O5S2 MolecularWeight: 447.52784

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)CCC(=O)OCC(=O)NCCC3=CC=C(C=C3)S(=O)(=O)N

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)CCC(=O)OCC(=O)NCCC3=CC=C(C=C3)S(=O)(=O)N

InChI

InChI=1S/C20H21N3O5S2/c21-30(26,27)15-7-5-14(6-8-15)11-12-22-18(24)13-28-20(25)10-9-19-23-16-3-1-2-4-17(16)29-19/h1-8H,9-13H2,(H,22,24)(H2,21,26,27)