ethyl (2E)-2-[1-[2-cyclopropyl-1-(2-fluorophenyl)-2-oxidanylidene-ethyl]-4-sulfanyl-piperidin-3-ylidene]ethanoate

Systemtic Name: ethyl (2E)-2-[1-[2-cyclopropyl-1-(2-fluorophenyl)-2-oxidanylidene-ethyl]-4-sulfanyl-piperidin-3-ylidene]ethanoate Openeye Name: ethyl (2E)-2-[1-[2-cyclopropyl-1-(2-fluorophenyl)-2-oxo-ethyl]-4-sulfanyl-3-piperidylidene]acetate CAS Name: (2E)-2-[1-[2-cyclopropyl-1-(2-fluorophenyl)-2-oxoethyl]-4-mercapto-3-piperidinylidene]acetic acid ethyl ester IUPAC Name: ethyl (2E)-2-[1-[2-cyclopropyl-1-(2-fluorophenyl)-2-oxoethyl]-4-sulfanylpiperidin-3-ylidene]acetate Traditional Name: (2E)-2-[1-[2-cyclopropyl-1-(2-fluorophenyl)-2-keto-ethyl]-4-mercapto-3-piperidylidene]acetic acid ethyl ester Formula: C20H24FNO3S MolecularWeight: 377.472863

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C=C1CN(CCC1S)C(C2=CC=CC=C2F)C(=O)C3CC3

Isomeric SMILES

CCOC(=O)/C=C/1\CN(CCC1S)C(C2=CC=CC=C2F)C(=O)C3CC3

InChI

InChI=1S/C20H24FNO3S/c1-2-25-18(23)11-14-12-22(10-9-17(14)26)19(20(24)13-7-8-13)15-5-3-4-6-16(15)21/h3-6,11,13,17,19,26H,2,7-10,12H2,1H3/b14-11+