(2S)-3-phenoxy-2-[(4-sulfamoylphenyl)carbamothioylamino]propanoic acid

Systemtic Name: (2S)-3-phenoxy-2-[(4-sulfamoylphenyl)carbamothioylamino]propanoic acid Openeye Name: (2S)-3-phenoxy-2-[(4-sulfamoylphenyl)carbamothioylamino]propanoic acid CAS Name: (2S)-3-phenoxy-2-[[(4-sulfamoylanilino)-sulfanylidenemethyl]amino]propanoic acid IUPAC Name: (2S)-3-phenoxy-2-[(4-sulfamoylphenyl)carbamothioylamino]propanoic acid Traditional Name: (2S)-3-phenoxy-2-[(4-sulfamoylphenyl)thiocarbamoylamino]propionic acid Formula: C16H17N3O5S2 MolecularWeight: 395.45328

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OCC(C(=O)O)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)N

Isomeric SMILES

C1=CC=C(C=C1)OC[C@@H](C(=O)O)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)N

InChI

InChI=1S/C16H17N3O5S2/c17-26(22,23)13-8-6-11(7-9-13)18-16(25)19-14(15(20)21)10-24-12-4-2-1-3-5-12/h1-9,14H,10H2,(H,20,21)(H2,17,22,23)(H2,18,19,25)/t14-/m0/s1