ethanedioic acid; ethyl 5-methyl-4-phenyl-2-[2-(propan-2-ylamino)ethanoylamino]thiophene-3-carboxylate

Systemtic Name: ethanedioic acid; ethyl 5-methyl-4-phenyl-2-[2-(propan-2-ylamino)ethanoylamino]thiophene-3-carboxylate Openeye Name: ethyl 2-[[2-(isopropylamino)acetyl]amino]-5-methyl-4-phenyl-thiophene-3-carboxylate; oxalic acid CAS Name: 5-methyl-2-[[1-oxo-2-(propan-2-ylamino)ethyl]amino]-4-phenyl-3-thiophenecarboxylic acid ethyl ester; oxalic acid IUPAC Name: ethyl 5-methyl-4-phenyl-2-[[2-(propan-2-ylamino)acetyl]amino]thiophene-3-carboxylate; oxalic acid Traditional Name: 2-[[2-(isopropylamino)acetyl]amino]-5-methyl-4-phenyl-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:

CCOC(=O)C1=C(SC(=C1C2=CC=CC=C2)C)NC(=O)CNC(C)C.C(=O)(C(=O)O)O

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C2=CC=CC=C2)C)NC(=O)CNC(C)C.C(=O)(C(=O)O)O

InChI

InChI=1S/C19H24N2O3S.C2H2O4/c1-5-24-19(23)17-16(14-9-7-6-8-10-14)13(4)25-18(17)21-15(22)11-20-12(2)3;3-1(4)2(5)6/h6-10,12,20H,5,11H2,1-4H3,(H,21,22);(H,3,4)(H,5,6)