[2,6-bis(fluoranyl)-4-(thiophen-3-ylmethoxy)phenyl]methyl piperazine-1-carboxylate

Systemtic Name: [2,6-bis(fluoranyl)-4-(thiophen-3-ylmethoxy)phenyl]methyl piperazine-1-carboxylate Openeye Name: [2,6-difluoro-4-(3-thienylmethoxy)phenyl]methyl piperazine-1-carboxylate CAS Name: 1-piperazinecarboxylic acid [2,6-difluoro-4-(3-thiophenylmethoxy)phenyl]methyl ester IUPAC Name: [2,6-difluoro-4-(thiophen-3-ylmethoxy)phenyl]methyl piperazine-1-carboxylate Traditional Name: piperazine-1-carboxylic acid [2,6-difluoro-4-(3-thenyloxy)benzyl] ester Formula: C17H18F2N2O3S MolecularWeight: 368.398226

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)C(=O)OCC2=C(C=C(C=C2F)OCC3=CSC=C3)F

Isomeric SMILES

C1CN(CCN1)C(=O)OCC2=C(C=C(C=C2F)OCC3=CSC=C3)F

InChI

InChI=1S/C17H18F2N2O3S/c18-15-7-13(23-9-12-1-6-25-11-12)8-16(19)14(15)10-24-17(22)21-4-2-20-3-5-21/h1,6-8,11,20H,2-5,9-10H2