N,N-diethyl-2-(2-phenyl-1,3-thiazol-4-yl)ethanamine; 2-oxidanylpropane-1,2,3-tricarboxylic acid

Systemtic Name: N,N-diethyl-2-(2-phenyl-1,3-thiazol-4-yl)ethanamine; 2-oxidanylpropane-1,2,3-tricarboxylic acid Openeye Name: citric acid; N,N-diethyl-2-(2-phenylthiazol-4-yl)ethanamine CAS Name: N,N-diethyl-2-(2-phenyl-4-thiazolyl)ethanamine; 2-hydroxypropane-1,2,3-tricarboxylic acid IUPAC Name: N,N-diethyl-2-(2-phenyl-1,3-thiazol-4-yl)ethanamine; 2-hydroxypropane-1,2,3-tricarboxylic acid Traditional Name: citric acid; diethyl-[2-(2-phenylthiazol-4-yl)ethyl]amine Formula: C21H28N2O7S MolecularWeight: 452.52122

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCC1=CSC(=N1)C2=CC=CC=C2.C(C(=O)O)C(CC(=O)O)(C(=O)O)O

Isomeric SMILES

CCN(CC)CCC1=CSC(=N1)C2=CC=CC=C2.C(C(=O)O)C(CC(=O)O)(C(=O)O)O

InChI

InChI=1S/C15H20N2S.C6H8O7/c1-3-17(4-2)11-10-14-12-18-15(16-14)13-8-6-5-7-9-13;7-3(8)1-6(13,5(11)12)2-4(9)10/h5-9,12H,3-4,10-11H2,1-2H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)