ethyl 4-[(2-benzamido-5-ethyl-thiophen-3-yl)-(3-fluorophenyl)methyl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[(2-benzamido-5-ethyl-thiophen-3-yl)-(3-fluorophenyl)methyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[(2-benzamido-5-ethyl-3-thienyl)-(3-fluorophenyl)methyl]piperazine-1-carboxylate CAS Name: 4-[(2-benzamido-5-ethyl-3-thiophenyl)-(3-fluorophenyl)methyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(2-benzamido-5-ethylthiophen-3-yl)-(3-fluorophenyl)methyl]piperazine-1-carboxylate Traditional Name: 4-[(2-benzamido-5-ethyl-3-thienyl)-(3-fluorophenyl)methyl]piperazine-1-carboxylic acid ethyl ester Formula: C27H30FN3O3S MolecularWeight: 495.608803

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(S1)NC(=O)C2=CC=CC=C2)C(C3=CC(=CC=C3)F)N4CCN(CC4)C(=O)OCC

Isomeric SMILES

CCC1=CC(=C(S1)NC(=O)C2=CC=CC=C2)C(C3=CC(=CC=C3)F)N4CCN(CC4)C(=O)OCC

InChI

InChI=1S/C27H30FN3O3S/c1-3-22-18-23(26(35-22)29-25(32)19-9-6-5-7-10-19)24(20-11-8-12-21(28)17-20)30-13-15-31(16-14-30)27(33)34-4-2/h5-12,17-18,24H,3-4,13-16H2,1-2H3,(H,29,32)