O2-ethyl O4-methyl 5-[2-(4-cyclohexylpiperazin-1-yl)ethanoylamino]-3-methyl-thiophene-2,4-dicarboxylate

Systemtic Name: O2-ethyl O4-methyl 5-[2-(4-cyclohexylpiperazin-1-yl)ethanoylamino]-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: O2-ethyl O4-methyl 5-[[2-(4-cyclohexylpiperazin-1-yl)acetyl]amino]-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 5-[[2-(4-cyclohexyl-1-piperazinyl)-1-oxoethyl]amino]-3-methylthiophene-2,4-dicarboxylic acid O2-ethyl ester O4-methyl ester IUPAC Name: 2-O-ethyl 4-O-methyl 5-[[2-(4-cyclohexylpiperazin-1-yl)acetyl]amino]-3-methylthiophene-2,4-dicarboxylate Traditional Name: 5-[[2-(4-cyclohexylpiperazino)acetyl]amino]-3-methyl-thiophene-2,4-dicarboxylic acid O2-ethyl ester O4-methyl ester Formula: C22H33N3O5S MolecularWeight: 451.57952

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)NC(=O)CN2CCN(CC2)C3CCCCC3)C(=O)OC)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)NC(=O)CN2CCN(CC2)C3CCCCC3)C(=O)OC)C

InChI

InChI=1S/C22H33N3O5S/c1-4-30-22(28)19-15(2)18(21(27)29-3)20(31-19)23-17(26)14-24-10-12-25(13-11-24)16-8-6-5-7-9-16/h16H,4-14H2,1-3H3,(H,23,26)