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

Systemtic Name: ethyl (2E)-2-[1-[2-cyclopropyl-1-(2-fluorophenyl)-2-oxidanylidene-ethyl]-4-ethanoylsulfanyl-piperidin-3-ylidene]ethanoate Openeye Name: ethyl (2E)-2-[4-acetylsulfanyl-1-[2-cyclopropyl-1-(2-fluorophenyl)-2-oxo-ethyl]-3-piperidylidene]acetate CAS Name: (2E)-2-[4-(acetylthio)-1-[2-cyclopropyl-1-(2-fluorophenyl)-2-oxoethyl]-3-piperidinylidene]acetic acid ethyl ester IUPAC Name: ethyl (2E)-2-[4-acetylsulfanyl-1-[2-cyclopropyl-1-(2-fluorophenyl)-2-oxoethyl]piperidin-3-ylidene]acetate Traditional Name: (2E)-2-[4-(acetylthio)-1-[2-cyclopropyl-1-(2-fluorophenyl)-2-keto-ethyl]-3-piperidylidene]acetic acid ethyl ester Formula: C22H26FNO4S MolecularWeight: 419.509543

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C=C1CN(CCC1SC(=O)C)C(C2=CC=CC=C2F)C(=O)C3CC3

Isomeric SMILES

CCOC(=O)/C=C/1\CN(CCC1SC(=O)C)C(C2=CC=CC=C2F)C(=O)C3CC3

InChI

InChI=1S/C22H26FNO4S/c1-3-28-20(26)12-16-13-24(11-10-19(16)29-14(2)25)21(22(27)15-8-9-15)17-6-4-5-7-18(17)23/h4-7,12,15,19,21H,3,8-11,13H2,1-2H3/b16-12+