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

Systemtic Name: ethyl 5-[5-[(E)-[1-[2-cyclopropyl-1-(2-fluorophenyl)-2-oxidanylidene-ethyl]-4-sulfanyl-piperidin-3-ylidene]methyl]-1,2,3-triazol-1-yl]pentanoate hydrochloride Openeye Name: ethyl 5-[5-[(E)-[1-[2-cyclopropyl-1-(2-fluorophenyl)-2-oxo-ethyl]-4-sulfanyl-3-piperidylidene]methyl]triazol-1-yl]pentanoate hydrochloride CAS Name: 5-[5-[(E)-[1-[2-cyclopropyl-1-(2-fluorophenyl)-2-oxoethyl]-4-mercapto-3-piperidinylidene]methyl]-1-triazolyl]pentanoic acid ethyl ester hydrochloride IUPAC Name: ethyl 5-[5-[(E)-[1-[2-cyclopropyl-1-(2-fluorophenyl)-2-oxoethyl]-4-sulfanylpiperidin-3-ylidene]methyl]triazol-1-yl]pentanoate hydrochloride Traditional Name: 5-[5-[(E)-[1-[2-cyclopropyl-1-(2-fluorophenyl)-2-keto-ethyl]-4-mercapto-3-piperidylidene]methyl]triazol-1-yl]valeric acid ethyl ester hydrochloride Formula: C26H34ClFN4O3S MolecularWeight: 537.089563

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCCN1C(=CN=N1)C=C2CN(CCC2S)C(C3=CC=CC=C3F)C(=O)C4CC4.Cl

Isomeric SMILES

CCOC(=O)CCCCN1C(=CN=N1)/C=C/2\CN(CCC2S)C(C3=CC=CC=C3F)C(=O)C4CC4.Cl

InChI

InChI=1S/C26H33FN4O3S.ClH/c1-2-34-24(32)9-5-6-13-31-20(16-28-29-31)15-19-17-30(14-12-23(19)35)25(26(33)18-10-11-18)21-7-3-4-8-22(21)27;/h3-4,7-8,15-16,18,23,25,35H,2,5-6,9-14,17H2,1H3;1H/b19-15+;