ethyl 4-methyl-5-(methylcarbamoyl)-2-[2-[4-(2-oxidanylidene-2-piperidin-1-yl-ethyl)piperazin-1-yl]ethanoylamino]thiophene-3-carboxylate

Systemtic Name: ethyl 4-methyl-5-(methylcarbamoyl)-2-[2-[4-(2-oxidanylidene-2-piperidin-1-yl-ethyl)piperazin-1-yl]ethanoylamino]thiophene-3-carboxylate Openeye Name: ethyl 4-methyl-5-(methylcarbamoyl)-2-[[2-[4-[2-oxo-2-(1-piperidyl)ethyl]piperazin-1-yl]acetyl]amino]thiophene-3-carboxylate CAS Name: 4-methyl-5-(methylcarbamoyl)-2-[[1-oxo-2-[4-[2-oxo-2-(1-piperidinyl)ethyl]-1-piperazinyl]ethyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-methyl-5-(methylcarbamoyl)-2-[[2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]acetyl]amino]thiophene-3-carboxylate Traditional Name: 2-[[2-[4-(2-keto-2-piperidino-ethyl)piperazino]acetyl]amino]-4-methyl-5-(methylcarbamoyl)thiophene-3-carboxylic acid ethyl ester Formula: C23H35N5O5S MolecularWeight: 493.6195

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C(=O)NC)NC(=O)CN2CCN(CC2)CC(=O)N3CCCCC3

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)NC)NC(=O)CN2CCN(CC2)CC(=O)N3CCCCC3

InChI

InChI=1S/C23H35N5O5S/c1-4-33-23(32)19-16(2)20(21(31)24-3)34-22(19)25-17(29)14-26-10-12-27(13-11-26)15-18(30)28-8-6-5-7-9-28/h4-15H2,1-3H3,(H,24,31)(H,25,29)