4,5-dihydro-1,3-thiazol-2-amine; 4-[[4-(ethanoylsulfamoyl)phenyl]amino]-4-oxidanylidene-butanoic acid

Systemtic Name: 4,5-dihydro-1,3-thiazol-2-amine; 4-[[4-(ethanoylsulfamoyl)phenyl]amino]-4-oxidanylidene-butanoic acid Openeye Name: 4-[4-(acetylsulfamoyl)anilino]-4-oxo-butanoic acid; 4,5-dihydrothiazol-2-amine CAS Name: 4-[4-(acetylsulfamoyl)anilino]-4-oxobutanoic acid; 4,5-dihydrothiazol-2-amine IUPAC Name: 4-[4-(acetylsulfamoyl)anilino]-4-oxobutanoic acid; 4,5-dihydro-1,3-thiazol-2-amine Traditional Name: 4-[4-(acetylsulfamoyl)anilino]-4-keto-butyric acid; 2-thiazolin-2-ylamine Formula: C15H20N4O6S2 MolecularWeight: 416.4725

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NS(=O)(=O)C1=CC=C(C=C1)NC(=O)CCC(=O)O.C1CSC(=N1)N

Isomeric SMILES

CC(=O)NS(=O)(=O)C1=CC=C(C=C1)NC(=O)CCC(=O)O.C1CSC(=N1)N

InChI

InChI=1S/C12H14N2O6S.C3H6N2S/c1-8(15)14-21(19,20)10-4-2-9(3-5-10)13-11(16)6-7-12(17)18;4-3-5-1-2-6-3/h2-5H,6-7H2,1H3,(H,13,16)(H,14,15)(H,17,18);1-2H2,(H2,4,5)