[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxidanylidene-ethyl] (2S)-2-(2,1,3-benzothiadiazol-4-ylsulfonylamino)propanoate

Systemtic Name: [2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxidanylidene-ethyl] (2S)-2-(2,1,3-benzothiadiazol-4-ylsulfonylamino)propanoate Openeye Name: [2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxo-ethyl] (2S)-2-(2,1,3-benzothiadiazol-4-ylsulfonylamino)propanoate CAS Name: (2S)-2-(2,1,3-benzothiadiazol-4-ylsulfonylamino)propanoic acid [2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl] ester IUPAC Name: [2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl] (2S)-2-(2,1,3-benzothiadiazol-4-ylsulfonylamino)propanoate Traditional Name: (2S)-2-(piazthiol-4-ylsulfonylamino)propionic acid [2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-keto-ethyl] ester Formula: C19H18N4O7S2 MolecularWeight: 478.49882

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OCC(=O)NC1=CC2=C(C=C1)OCCO2)NS(=O)(=O)C3=CC=CC4=NSN=C43

Isomeric SMILES

C[C@@H](C(=O)OCC(=O)NC1=CC2=C(C=C1)OCCO2)NS(=O)(=O)C3=CC=CC4=NSN=C43

InChI

InChI=1S/C19H18N4O7S2/c1-11(23-32(26,27)16-4-2-3-13-18(16)22-31-21-13)19(25)30-10-17(24)20-12-5-6-14-15(9-12)29-8-7-28-14/h2-6,9,11,23H,7-8,10H2,1H3,(H,20,24)/t11-/m0/s1