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

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

CCN(CC)CC(=O)NC1=C(C(=C(S1)Cl)C2=CC=CC=C2)C(=O)OCC.C(=O)(C(=O)O)O

Isomeric SMILES

CCN(CC)CC(=O)NC1=C(C(=C(S1)Cl)C2=CC=CC=C2)C(=O)OCC.C(=O)(C(=O)O)O

InChI

InChI=1S/C19H23ClN2O3S.C2H2O4/c1-4-22(5-2)12-14(23)21-18-16(19(24)25-6-3)15(17(20)26-18)13-10-8-7-9-11-13;3-1(4)2(5)6/h7-11H,4-6,12H2,1-3H3,(H,21,23);(H,3,4)(H,5,6)