ethyl 4-[[2-(furan-2-ylcarbonylamino)-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]methyl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[[2-(furan-2-ylcarbonylamino)-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]methyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[[2-(furan-2-carbonylamino)-4,5,6,7-tetrahydrobenzothiophen-3-yl]methyl]piperazine-1-carboxylate CAS Name: 4-[[2-[[2-furanyl(oxo)methyl]amino]-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]methyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[[2-(furan-2-carbonylamino)-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]methyl]piperazine-1-carboxylate Traditional Name: 4-[[2-(2-furoylamino)-4,5,6,7-tetrahydrobenzothiophen-3-yl]methyl]piperazine-1-carboxylic acid ethyl ester Formula: C21H27N3O4S MolecularWeight: 417.52178

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)CC2=C(SC3=C2CCCC3)NC(=O)C4=CC=CO4

Isomeric SMILES

CCOC(=O)N1CCN(CC1)CC2=C(SC3=C2CCCC3)NC(=O)C4=CC=CO4

InChI

InChI=1S/C21H27N3O4S/c1-2-27-21(26)24-11-9-23(10-12-24)14-16-15-6-3-4-8-18(15)29-20(16)22-19(25)17-7-5-13-28-17/h5,7,13H,2-4,6,8-12,14H2,1H3,(H,22,25)