ethanedioic acid; ethyl 4-(4-tert-butylphenyl)-2-[2-(4-methylpiperazin-1-yl)ethanoylamino]thiophene-3-carboxylate

Systemtic Name: ethanedioic acid; ethyl 4-(4-tert-butylphenyl)-2-[2-(4-methylpiperazin-1-yl)ethanoylamino]thiophene-3-carboxylate Openeye Name: ethyl 4-(4-tert-butylphenyl)-2-[[2-(4-methylpiperazin-1-yl)acetyl]amino]thiophene-3-carboxylate; oxalic acid CAS Name: 4-(4-tert-butylphenyl)-2-[[2-(4-methyl-1-piperazinyl)-1-oxoethyl]amino]-3-thiophenecarboxylic acid ethyl ester; oxalic acid IUPAC Name: ethyl 4-(4-tert-butylphenyl)-2-[[2-(4-methylpiperazin-1-yl)acetyl]amino]thiophene-3-carboxylate; oxalic acid Traditional Name: 4-(4-tert-butylphenyl)-2-[[2-(4-methylpiperazino)acetyl]amino]thiophene-3-carboxylic acid ethyl ester; oxalic acid Formula: C28H37N3O11S MolecularWeight: 623.67188

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC=C1C2=CC=C(C=C2)C(C)(C)C)NC(=O)CN3CCN(CC3)C.C(=O)(C(=O)O)O.C(=O)(C(=O)O)O

Isomeric SMILES

CCOC(=O)C1=C(SC=C1C2=CC=C(C=C2)C(C)(C)C)NC(=O)CN3CCN(CC3)C.C(=O)(C(=O)O)O.C(=O)(C(=O)O)O

InChI

InChI=1S/C24H33N3O3S.2C2H2O4/c1-6-30-23(29)21-19(17-7-9-18(10-8-17)24(2,3)4)16-31-22(21)25-20(28)15-27-13-11-26(5)12-14-27;2*3-1(4)2(5)6/h7-10,16H,6,11-15H2,1-5H3,(H,25,28);2*(H,3,4)(H,5,6)