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

Systemtic Name: ethyl 2-[4-[(E)-[1-[2-cyclopropyl-1-(2-fluorophenyl)-2-oxidanylidene-ethyl]-4-ethanoylsulfanyl-piperidin-3-ylidene]methyl]imidazol-1-yl]ethanoate Openeye Name: ethyl 2-[4-[(E)-[4-acetylsulfanyl-1-[2-cyclopropyl-1-(2-fluorophenyl)-2-oxo-ethyl]-3-piperidylidene]methyl]imidazol-1-yl]acetate CAS Name: 2-[4-[(E)-[4-(acetylthio)-1-[2-cyclopropyl-1-(2-fluorophenyl)-2-oxoethyl]-3-piperidinylidene]methyl]-1-imidazolyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[4-[(E)-[4-acetylsulfanyl-1-[2-cyclopropyl-1-(2-fluorophenyl)-2-oxoethyl]piperidin-3-ylidene]methyl]imidazol-1-yl]acetate Traditional Name: 2-[4-[(E)-[4-(acetylthio)-1-[2-cyclopropyl-1-(2-fluorophenyl)-2-keto-ethyl]-3-piperidylidene]methyl]imidazol-1-yl]acetic acid ethyl ester Formula: C26H30FN3O4S MolecularWeight: 499.597503

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1C=C(N=C1)C=C2CN(CCC2SC(=O)C)C(C3=CC=CC=C3F)C(=O)C4CC4

Isomeric SMILES

CCOC(=O)CN1C=C(N=C1)/C=C/2\CN(CCC2SC(=O)C)C(C3=CC=CC=C3F)C(=O)C4CC4

InChI

InChI=1S/C26H30FN3O4S/c1-3-34-24(32)15-29-14-20(28-16-29)12-19-13-30(11-10-23(19)35-17(2)31)25(26(33)18-8-9-18)21-6-4-5-7-22(21)27/h4-7,12,14,16,18,23,25H,3,8-11,13,15H2,1-2H3/b19-12+