ethanedioic acid; ethyl 5-chloranyl-2-[2-(2-methylpropylamino)ethanoylamino]-4-phenyl-thiophene-3-carboxylate

Systemtic Name: ethanedioic acid; ethyl 5-chloranyl-2-[2-(2-methylpropylamino)ethanoylamino]-4-phenyl-thiophene-3-carboxylate Openeye Name: ethyl 5-chloro-2-[[2-(isobutylamino)acetyl]amino]-4-phenyl-thiophene-3-carboxylate; oxalic acid CAS Name: 5-chloro-2-[[2-(2-methylpropylamino)-1-oxoethyl]amino]-4-phenyl-3-thiophenecarboxylic acid ethyl ester; oxalic acid IUPAC Name: ethyl 5-chloro-2-[[2-(2-methylpropylamino)acetyl]amino]-4-phenylthiophene-3-carboxylate; oxalic acid Traditional Name: 5-chloro-2-[[2-(isobutylamino)acetyl]amino]-4-phenyl-thiophene-3-carboxylic acid ethyl ester; oxalic acid Formula: C21H25ClN2O7S MolecularWeight: 484.9504

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H23ClN2O3S.C2H2O4/c1-4-25-19(24)16-15(13-8-6-5-7-9-13)17(20)26-18(16)22-14(23)11-21-10-12(2)3;3-1(4)2(5)6/h5-9,12,21H,4,10-11H2,1-3H3,(H,22,23);(H,3,4)(H,5,6)