ethanedioic acid; ethyl 2-[2-(2-methylpropylamino)ethanoylamino]-4-phenyl-thiophene-3-carboxylate

Systemtic Name: ethanedioic acid; ethyl 2-[2-(2-methylpropylamino)ethanoylamino]-4-phenyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[[2-(isobutylamino)acetyl]amino]-4-phenyl-thiophene-3-carboxylate; oxalic acid CAS Name: 2-[[2-(2-methylpropylamino)-1-oxoethyl]amino]-4-phenyl-3-thiophenecarboxylic acid ethyl ester; oxalic acid IUPAC Name: ethyl 2-[[2-(2-methylpropylamino)acetyl]amino]-4-phenylthiophene-3-carboxylate; oxalic acid Traditional Name: 2-[[2-(isobutylamino)acetyl]amino]-4-phenyl-thiophene-3-carboxylic acid ethyl ester; oxalic acid Formula: C21H26N2O7S MolecularWeight: 450.50534

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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