ethyl 1-[[(E)-3-(4-fluorophenyl)prop-2-enoyl]amino]sulfanylcarbonylpiperidine-3-carboxylate

Systemtic Name: ethyl 1-[[(E)-3-(4-fluorophenyl)prop-2-enoyl]amino]sulfanylcarbonylpiperidine-3-carboxylate Openeye Name: ethyl 1-[[(E)-3-(4-fluorophenyl)prop-2-enoyl]amino]sulfanylcarbonylpiperidine-3-carboxylate CAS Name: 1-[[[[(E)-3-(4-fluorophenyl)-1-oxoprop-2-enyl]amino]thio]-oxomethyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[[(E)-3-(4-fluorophenyl)prop-2-enoyl]amino]sulfanylcarbonylpiperidine-3-carboxylate Traditional Name: 1-[[[(E)-3-(4-fluorophenyl)acryloyl]amino]thio]carbonylnipecotic acid ethyl ester Formula: C18H21FN2O4S MolecularWeight: 380.433743

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)C(=O)SNC(=O)C=CC2=CC=C(C=C2)F

Isomeric SMILES

CCOC(=O)C1CCCN(C1)C(=O)SNC(=O)/C=C/C2=CC=C(C=C2)F

InChI

InChI=1S/C18H21FN2O4S/c1-2-25-17(23)14-4-3-11-21(12-14)18(24)26-20-16(22)10-7-13-5-8-15(19)9-6-13/h5-10,14H,2-4,11-12H2,1H3,(H,20,22)/b10-7+