ethanedioic acid; N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-phenyl-ethanamine

Systemtic Name: ethanedioic acid; N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-phenyl-ethanamine Openeye Name: N-[(2-methylthiazol-4-yl)methyl]-2-phenyl-ethanamine; oxalic acid CAS Name: N-[(2-methyl-4-thiazolyl)methyl]-2-phenylethanamine; oxalic acid IUPAC Name: N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-phenylethanamine; oxalic acid Traditional Name: (2-methylthiazol-4-yl)methyl-phenethyl-amine; oxalic acid Formula: C15H18N2O4S MolecularWeight: 322.37942

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CS1)CNCCC2=CC=CC=C2.C(=O)(C(=O)O)O

Isomeric SMILES

CC1=NC(=CS1)CNCCC2=CC=CC=C2.C(=O)(C(=O)O)O

InChI

InChI=1S/C13H16N2S.C2H2O4/c1-11-15-13(10-16-11)9-14-8-7-12-5-3-2-4-6-12;3-1(4)2(5)6/h2-6,10,14H,7-9H2,1H3;(H,3,4)(H,5,6)