4,5-dihydro-1,3-thiazol-2-amine; 4-[[5-(methylsulfamoyl)naphthalen-1-yl]amino]-4-oxidanylidene-butanoic acid

Systemtic Name: 4,5-dihydro-1,3-thiazol-2-amine; 4-[[5-(methylsulfamoyl)naphthalen-1-yl]amino]-4-oxidanylidene-butanoic acid Openeye Name: 4,5-dihydrothiazol-2-amine; 4-[[5-(methylsulfamoyl)-1-naphthyl]amino]-4-oxo-butanoic acid CAS Name: 4,5-dihydrothiazol-2-amine; 4-[[5-(methylsulfamoyl)-1-naphthalenyl]amino]-4-oxobutanoic acid IUPAC Name: 4,5-dihydro-1,3-thiazol-2-amine; 4-[[5-(methylsulfamoyl)naphthalen-1-yl]amino]-4-oxobutanoic acid Traditional Name: 4-keto-4-[[5-(methylsulfamoyl)-1-naphthyl]amino]butyric acid; 2-thiazolin-2-ylamine Formula: C18H22N4O5S2 MolecularWeight: 438.52108

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Descriptors Computed from Structure

Canonical SMILES:

CNS(=O)(=O)C1=CC=CC2=C1C=CC=C2NC(=O)CCC(=O)O.C1CSC(=N1)N

Isomeric SMILES

CNS(=O)(=O)C1=CC=CC2=C1C=CC=C2NC(=O)CCC(=O)O.C1CSC(=N1)N

InChI

InChI=1S/C15H16N2O5S.C3H6N2S/c1-16-23(21,22)13-7-3-4-10-11(13)5-2-6-12(10)17-14(18)8-9-15(19)20;4-3-5-1-2-6-3/h2-7,16H,8-9H2,1H3,(H,17,18)(H,19,20);1-2H2,(H2,4,5)