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

Systemtic Name: 4,5-dihydro-1,3-thiazol-2-amine; 4-[(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)amino]-4-oxidanylidene-butanoic acid Openeye Name: 4,5-dihydrothiazol-2-amine; 4-[(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)amino]-4-oxo-butanoic acid CAS Name: 4,5-dihydrothiazol-2-amine; 4-[(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)amino]-4-oxobutanoic acid IUPAC Name: 4,5-dihydro-1,3-thiazol-2-amine; 4-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]-4-oxobutanoic acid Traditional Name: 4-keto-4-[(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)amino]butyric acid; 2-thiazolin-2-ylamine Formula: C18H23N5O4S MolecularWeight: 405.47132

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)CCC(=O)O.C1CSC(=N1)N

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)CCC(=O)O.C1CSC(=N1)N

InChI

InChI=1S/C15H17N3O4.C3H6N2S/c1-10-14(16-12(19)8-9-13(20)21)15(22)18(17(10)2)11-6-4-3-5-7-11;4-3-5-1-2-6-3/h3-7H,8-9H2,1-2H3,(H,16,19)(H,20,21);1-2H2,(H2,4,5)