ethanedioic acid; ethyl 2-[2-(cyclohexylmethylamino)ethanoylamino]-4-(4-methylphenyl)thiophene-3-carboxylate

Systemtic Name: ethanedioic acid; ethyl 2-[2-(cyclohexylmethylamino)ethanoylamino]-4-(4-methylphenyl)thiophene-3-carboxylate Openeye Name: ethyl 2-[[2-(cyclohexylmethylamino)acetyl]amino]-4-(p-tolyl)thiophene-3-carboxylate; oxalic acid CAS Name: 2-[[2-(cyclohexylmethylamino)-1-oxoethyl]amino]-4-(4-methylphenyl)-3-thiophenecarboxylic acid ethyl ester; oxalic acid IUPAC Name: ethyl 2-[[2-(cyclohexylmethylamino)acetyl]amino]-4-(4-methylphenyl)thiophene-3-carboxylate; oxalic acid Traditional Name: 2-[[2-(cyclohexylmethylamino)acetyl]amino]-4-(p-tolyl)thiophene-3-carboxylic acid ethyl ester; oxalic acid Formula: C25H32N2O7S MolecularWeight: 504.59578

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC=C1C2=CC=C(C=C2)C)NC(=O)CNCC3CCCCC3.C(=O)(C(=O)O)O

Isomeric SMILES

CCOC(=O)C1=C(SC=C1C2=CC=C(C=C2)C)NC(=O)CNCC3CCCCC3.C(=O)(C(=O)O)O

InChI

InChI=1S/C23H30N2O3S.C2H2O4/c1-3-28-23(27)21-19(18-11-9-16(2)10-12-18)15-29-22(21)25-20(26)14-24-13-17-7-5-4-6-8-17;3-1(4)2(5)6/h9-12,15,17,24H,3-8,13-14H2,1-2H3,(H,25,26);(H,3,4)(H,5,6)