[2-oxidanylidene-2-(4-thiophen-2-ylcarbonylpiperazin-1-yl)ethyl] (E)-3-(2-chloranyl-6-fluoranyl-phenyl)prop-2-enoate

Systemtic Name: [2-oxidanylidene-2-(4-thiophen-2-ylcarbonylpiperazin-1-yl)ethyl] (E)-3-(2-chloranyl-6-fluoranyl-phenyl)prop-2-enoate Openeye Name: [2-oxo-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethyl] (E)-3-(2-chloro-6-fluoro-phenyl)prop-2-enoate CAS Name: (E)-3-(2-chloro-6-fluorophenyl)-2-propenoic acid [2-oxo-2-[4-[oxo(thiophen-2-yl)methyl]-1-piperazinyl]ethyl] ester IUPAC Name: [2-oxo-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethyl] (E)-3-(2-chloro-6-fluorophenyl)prop-2-enoate Traditional Name: (E)-3-(2-chloro-6-fluoro-phenyl)acrylic acid [2-keto-2-[4-(2-thenoyl)piperazino]ethyl] ester Formula: C20H18ClFN2O4S MolecularWeight: 436.884323

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)COC(=O)C=CC2=C(C=CC=C2Cl)F)C(=O)C3=CC=CS3

Isomeric SMILES

C1CN(CCN1C(=O)COC(=O)/C=C/C2=C(C=CC=C2Cl)F)C(=O)C3=CC=CS3

InChI

InChI=1S/C20H18ClFN2O4S/c21-15-3-1-4-16(22)14(15)6-7-19(26)28-13-18(25)23-8-10-24(11-9-23)20(27)17-5-2-12-29-17/h1-7,12H,8-11,13H2/b7-6+