methyl 4-cyano-5-[2-(4-cyclohexylpiperazin-1-yl)ethanoylamino]-3-methyl-thiophene-2-carboxylate

Systemtic Name: methyl 4-cyano-5-[2-(4-cyclohexylpiperazin-1-yl)ethanoylamino]-3-methyl-thiophene-2-carboxylate Openeye Name: methyl 4-cyano-5-[[2-(4-cyclohexylpiperazin-1-yl)acetyl]amino]-3-methyl-thiophene-2-carboxylate CAS Name: 4-cyano-5-[[2-(4-cyclohexyl-1-piperazinyl)-1-oxoethyl]amino]-3-methyl-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 4-cyano-5-[[2-(4-cyclohexylpiperazin-1-yl)acetyl]amino]-3-methylthiophene-2-carboxylate Traditional Name: 4-cyano-5-[[2-(4-cyclohexylpiperazino)acetyl]amino]-3-methyl-thiophene-2-carboxylic acid methyl ester Formula: C20H28N4O3S MolecularWeight: 404.52632

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C#N)NC(=O)CN2CCN(CC2)C3CCCCC3)C(=O)OC

Isomeric SMILES

CC1=C(SC(=C1C#N)NC(=O)CN2CCN(CC2)C3CCCCC3)C(=O)OC

InChI

InChI=1S/C20H28N4O3S/c1-14-16(12-21)19(28-18(14)20(26)27-2)22-17(25)13-23-8-10-24(11-9-23)15-6-4-3-5-7-15/h15H,3-11,13H2,1-2H3,(H,22,25)