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

Systemtic Name: ethyl 5-ethyl-2-[2-[4-(furan-2-ylmethyl)piperazin-1-yl]ethanoylamino]thiophene-3-carboxylate Openeye Name: ethyl 5-ethyl-2-[[2-[4-(2-furylmethyl)piperazin-1-yl]acetyl]amino]thiophene-3-carboxylate CAS Name: 5-ethyl-2-[[2-[4-(2-furanylmethyl)-1-piperazinyl]-1-oxoethyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-ethyl-2-[[2-[4-(furan-2-ylmethyl)piperazin-1-yl]acetyl]amino]thiophene-3-carboxylate Traditional Name: 5-ethyl-2-[[2-[4-(2-furfuryl)piperazino]acetyl]amino]thiophene-3-carboxylic acid ethyl ester Formula: C20H27N3O4S MolecularWeight: 405.51108

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(S1)NC(=O)CN2CCN(CC2)CC3=CC=CO3)C(=O)OCC

Isomeric SMILES

CCC1=CC(=C(S1)NC(=O)CN2CCN(CC2)CC3=CC=CO3)C(=O)OCC

InChI

InChI=1S/C20H27N3O4S/c1-3-16-12-17(20(25)26-4-2)19(28-16)21-18(24)14-23-9-7-22(8-10-23)13-15-6-5-11-27-15/h5-6,11-12H,3-4,7-10,13-14H2,1-2H3,(H,21,24)