ethanedioic acid; ethyl 2-[2-[(3-chlorophenyl)methylamino]ethanoylamino]-4-thiophen-2-yl-thiophene-3-carboxylate

Systemtic Name: ethanedioic acid; ethyl 2-[2-[(3-chlorophenyl)methylamino]ethanoylamino]-4-thiophen-2-yl-thiophene-3-carboxylate Openeye Name: ethyl 2-[[2-[(3-chlorophenyl)methylamino]acetyl]amino]-4-(2-thienyl)thiophene-3-carboxylate; oxalic acid CAS Name: 2-[[2-[(3-chlorophenyl)methylamino]-1-oxoethyl]amino]-4-thiophen-2-yl-3-thiophenecarboxylic acid ethyl ester; oxalic acid IUPAC Name: ethyl 2-[[2-[(3-chlorophenyl)methylamino]acetyl]amino]-4-thiophen-2-ylthiophene-3-carboxylate; oxalic acid Traditional Name: 2-[[2-[(3-chlorobenzyl)amino]acetyl]amino]-4-(2-thienyl)thiophene-3-carboxylic acid ethyl ester; oxalic acid Formula: C22H21ClN2O7S2 MolecularWeight: 524.99434

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC=C1C2=CC=CS2)NC(=O)CNCC3=CC(=CC=C3)Cl.C(=O)(C(=O)O)O

Isomeric SMILES

CCOC(=O)C1=C(SC=C1C2=CC=CS2)NC(=O)CNCC3=CC(=CC=C3)Cl.C(=O)(C(=O)O)O

InChI

InChI=1S/C20H19ClN2O3S2.C2H2O4/c1-2-26-20(25)18-15(16-7-4-8-27-16)12-28-19(18)23-17(24)11-22-10-13-5-3-6-14(21)9-13;3-1(4)2(5)6/h3-9,12,22H,2,10-11H2,1H3,(H,23,24);(H,3,4)(H,5,6)