ethyl 4-[4-[2-[(4-fluorophenyl)methyl-thiophen-2-ylcarbonyl-amino]ethyl]piperazin-1-yl]-4-oxidanylidene-butanoate

Systemtic Name: ethyl 4-[4-[2-[(4-fluorophenyl)methyl-thiophen-2-ylcarbonyl-amino]ethyl]piperazin-1-yl]-4-oxidanylidene-butanoate Openeye Name: ethyl 4-[4-[2-[(4-fluorophenyl)methyl-(thiophene-2-carbonyl)amino]ethyl]piperazin-1-yl]-4-oxo-butanoate CAS Name: 4-[4-[2-[(4-fluorophenyl)methyl-[oxo(thiophen-2-yl)methyl]amino]ethyl]-1-piperazinyl]-4-oxobutanoic acid ethyl ester IUPAC Name: ethyl 4-[4-[2-[(4-fluorophenyl)methyl-(thiophene-2-carbonyl)amino]ethyl]piperazin-1-yl]-4-oxobutanoate Traditional Name: 4-[4-[2-[(4-fluorobenzyl)-(2-thenoyl)amino]ethyl]piperazino]-4-keto-butyric acid ethyl ester Formula: C24H30FN3O4S MolecularWeight: 475.576103

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCC(=O)N1CCN(CC1)CCN(CC2=CC=C(C=C2)F)C(=O)C3=CC=CS3

Isomeric SMILES

CCOC(=O)CCC(=O)N1CCN(CC1)CCN(CC2=CC=C(C=C2)F)C(=O)C3=CC=CS3

InChI

InChI=1S/C24H30FN3O4S/c1-2-32-23(30)10-9-22(29)27-14-11-26(12-15-27)13-16-28(24(31)21-4-3-17-33-21)18-19-5-7-20(25)8-6-19/h3-8,17H,2,9-16,18H2,1H3