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

Systemtic Name: ethyl 3-methyl-5-[2-[4-(2-oxidanylidene-2-piperidin-1-yl-ethyl)piperazin-1-yl]ethanoylamino]thiophene-2-carboxylate Openeye Name: ethyl 3-methyl-5-[[2-[4-[2-oxo-2-(1-piperidyl)ethyl]piperazin-1-yl]acetyl]amino]thiophene-2-carboxylate CAS Name: 3-methyl-5-[[1-oxo-2-[4-[2-oxo-2-(1-piperidinyl)ethyl]-1-piperazinyl]ethyl]amino]-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 3-methyl-5-[[2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]acetyl]amino]thiophene-2-carboxylate Traditional Name: 5-[[2-[4-(2-keto-2-piperidino-ethyl)piperazino]acetyl]amino]-3-methyl-thiophene-2-carboxylic acid ethyl ester Formula: C21H32N4O4S MolecularWeight: 436.56818

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C=C(S1)NC(=O)CN2CCN(CC2)CC(=O)N3CCCCC3)C

Isomeric SMILES

CCOC(=O)C1=C(C=C(S1)NC(=O)CN2CCN(CC2)CC(=O)N3CCCCC3)C

InChI

InChI=1S/C21H32N4O4S/c1-3-29-21(28)20-16(2)13-18(30-20)22-17(26)14-23-9-11-24(12-10-23)15-19(27)25-7-5-4-6-8-25/h13H,3-12,14-15H2,1-2H3,(H,22,26)