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

Systemtic Name: N,N-diethyl-2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]ethanamine; 2-oxidanylpropane-1,2,3-tricarboxylic acid Openeye Name: citric acid; N,N-diethyl-2-[2-(4-methoxyphenyl)thiazol-4-yl]ethanamine CAS Name: N,N-diethyl-2-[2-(4-methoxyphenyl)-4-thiazolyl]ethanamine; 2-hydroxypropane-1,2,3-tricarboxylic acid IUPAC Name: N,N-diethyl-2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]ethanamine; 2-hydroxypropane-1,2,3-tricarboxylic acid Traditional Name: citric acid; diethyl-[2-[2-(4-methoxyphenyl)thiazol-4-yl]ethyl]amine Formula: C22H30N2O8S MolecularWeight: 482.5472

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H22N2OS.C6H8O7/c1-4-18(5-2)11-10-14-12-20-16(17-14)13-6-8-15(19-3)9-7-13;7-3(8)1-6(13,5(11)12)2-4(9)10/h6-9,12H,4-5,10-11H2,1-3H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)