ethanedioic acid; ethyl 5-ethyl-2-[2-(phenethylamino)ethanoylamino]thiophene-3-carboxylate

Systemtic Name: ethanedioic acid; ethyl 5-ethyl-2-[2-(phenethylamino)ethanoylamino]thiophene-3-carboxylate Openeye Name: ethyl 5-ethyl-2-[[2-(phenethylamino)acetyl]amino]thiophene-3-carboxylate; oxalic acid CAS Name: 5-ethyl-2-[[1-oxo-2-(phenethylamino)ethyl]amino]-3-thiophenecarboxylic acid ethyl ester; oxalic acid IUPAC Name: ethyl 5-ethyl-2-[[2-(phenethylamino)acetyl]amino]thiophene-3-carboxylate; oxalic acid Traditional Name: 5-ethyl-2-[[2-(phenethylamino)acetyl]amino]thiophene-3-carboxylic acid ethyl ester; oxalic acid Formula: C21H26N2O7S MolecularWeight: 450.50534

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(S1)NC(=O)CNCCC2=CC=CC=C2)C(=O)OCC.C(=O)(C(=O)O)O

Isomeric SMILES

CCC1=CC(=C(S1)NC(=O)CNCCC2=CC=CC=C2)C(=O)OCC.C(=O)(C(=O)O)O

InChI

InChI=1S/C19H24N2O3S.C2H2O4/c1-3-15-12-16(19(23)24-4-2)18(25-15)21-17(22)13-20-11-10-14-8-6-5-7-9-14;3-1(4)2(5)6/h5-9,12,20H,3-4,10-11,13H2,1-2H3,(H,21,22);(H,3,4)(H,5,6)