ethyl 5-[4-[(E)-[1-[2-cyclopropyl-1-(2-fluorophenyl)-2-oxidanylidene-ethyl]-4-ethanoylsulfanyl-piperidin-3-ylidene]methyl]-1,2,3-triazol-1-yl]pentanoate

Systemtic Name: ethyl 5-[4-[(E)-[1-[2-cyclopropyl-1-(2-fluorophenyl)-2-oxidanylidene-ethyl]-4-ethanoylsulfanyl-piperidin-3-ylidene]methyl]-1,2,3-triazol-1-yl]pentanoate Openeye Name: ethyl 5-[4-[(E)-[4-acetylsulfanyl-1-[2-cyclopropyl-1-(2-fluorophenyl)-2-oxo-ethyl]-3-piperidylidene]methyl]triazol-1-yl]pentanoate CAS Name: 5-[4-[(E)-[4-(acetylthio)-1-[2-cyclopropyl-1-(2-fluorophenyl)-2-oxoethyl]-3-piperidinylidene]methyl]-1-triazolyl]pentanoic acid ethyl ester IUPAC Name: ethyl 5-[4-[(E)-[4-acetylsulfanyl-1-[2-cyclopropyl-1-(2-fluorophenyl)-2-oxoethyl]piperidin-3-ylidene]methyl]triazol-1-yl]pentanoate Traditional Name: 5-[4-[(E)-[4-(acetylthio)-1-[2-cyclopropyl-1-(2-fluorophenyl)-2-keto-ethyl]-3-piperidylidene]methyl]triazol-1-yl]valeric acid ethyl ester Formula: C28H35FN4O4S MolecularWeight: 542.665303

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCCN1C=C(N=N1)C=C2CN(CCC2SC(=O)C)C(C3=CC=CC=C3F)C(=O)C4CC4

Isomeric SMILES

CCOC(=O)CCCCN1C=C(N=N1)/C=C/2\CN(CCC2SC(=O)C)C(C3=CC=CC=C3F)C(=O)C4CC4

InChI

InChI=1S/C28H35FN4O4S/c1-3-37-26(35)10-6-7-14-33-18-22(30-31-33)16-21-17-32(15-13-25(21)38-19(2)34)27(28(36)20-11-12-20)23-8-4-5-9-24(23)29/h4-5,8-9,16,18,20,25,27H,3,6-7,10-15,17H2,1-2H3/b21-16+