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

Systemtic Name: ethyl 3-[5-[(E)-[1-[2-cyclopropyl-1-(2-fluorophenyl)-2-oxidanylidene-ethyl]-4-sulfanyl-piperidin-3-ylidene]methyl]-1,2,3-triazol-1-yl]propanoate hydrochloride Openeye Name: ethyl 3-[5-[(E)-[1-[2-cyclopropyl-1-(2-fluorophenyl)-2-oxo-ethyl]-4-sulfanyl-3-piperidylidene]methyl]triazol-1-yl]propanoate hydrochloride CAS Name: 3-[5-[(E)-[1-[2-cyclopropyl-1-(2-fluorophenyl)-2-oxoethyl]-4-mercapto-3-piperidinylidene]methyl]-1-triazolyl]propanoic acid ethyl ester hydrochloride IUPAC Name: ethyl 3-[5-[(E)-[1-[2-cyclopropyl-1-(2-fluorophenyl)-2-oxoethyl]-4-sulfanylpiperidin-3-ylidene]methyl]triazol-1-yl]propanoate hydrochloride Traditional Name: 3-[5-[(E)-[1-[2-cyclopropyl-1-(2-fluorophenyl)-2-keto-ethyl]-4-mercapto-3-piperidylidene]methyl]triazol-1-yl]propionic acid ethyl ester hydrochloride Formula: C24H30ClFN4O3S MolecularWeight: 509.036403

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCN1C(=CN=N1)C=C2CN(CCC2S)C(C3=CC=CC=C3F)C(=O)C4CC4.Cl

Isomeric SMILES

CCOC(=O)CCN1C(=CN=N1)/C=C/2\CN(CCC2S)C(C3=CC=CC=C3F)C(=O)C4CC4.Cl

InChI

InChI=1S/C24H29FN4O3S.ClH/c1-2-32-22(30)10-12-29-18(14-26-27-29)13-17-15-28(11-9-21(17)33)23(24(31)16-7-8-16)19-5-3-4-6-20(19)25;/h3-6,13-14,16,21,23,33H,2,7-12,15H2,1H3;1H/b17-13+;