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

Systemtic Name: methyl 5-ethyl-2-[2-[4-(phenylmethyl)piperazin-1-yl]ethanoylamino]thiophene-3-carboxylate Openeye Name: methyl 2-[[2-(4-benzylpiperazin-1-yl)acetyl]amino]-5-ethyl-thiophene-3-carboxylate CAS Name: 5-ethyl-2-[[1-oxo-2-[4-(phenylmethyl)-1-piperazinyl]ethyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[[2-(4-benzylpiperazin-1-yl)acetyl]amino]-5-ethylthiophene-3-carboxylate Traditional Name: 2-[[2-(4-benzylpiperazino)acetyl]amino]-5-ethyl-thiophene-3-carboxylic acid methyl ester Formula: C21H27N3O3S MolecularWeight: 401.52238

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(S1)NC(=O)CN2CCN(CC2)CC3=CC=CC=C3)C(=O)OC

Isomeric SMILES

CCC1=CC(=C(S1)NC(=O)CN2CCN(CC2)CC3=CC=CC=C3)C(=O)OC

InChI

InChI=1S/C21H27N3O3S/c1-3-17-13-18(21(26)27-2)20(28-17)22-19(25)15-24-11-9-23(10-12-24)14-16-7-5-4-6-8-16/h4-8,13H,3,9-12,14-15H2,1-2H3,(H,22,25)