ethyl 3-[(E)-[1-[2-cyclopropyl-1-(2-fluorophenyl)-2-oxidanylidene-ethyl]-4-sulfanyl-piperidin-3-ylidene]methyl]-2-(4-ethoxy-4-oxidanylidene-butyl)-1,2,3-triazole-1-carboxylate hydrochloride

Systemtic Name: ethyl 3-[(E)-[1-[2-cyclopropyl-1-(2-fluorophenyl)-2-oxidanylidene-ethyl]-4-sulfanyl-piperidin-3-ylidene]methyl]-2-(4-ethoxy-4-oxidanylidene-butyl)-1,2,3-triazole-1-carboxylate hydrochloride Openeye Name: ethyl 3-[(E)-[1-[2-cyclopropyl-1-(2-fluorophenyl)-2-oxo-ethyl]-4-sulfanyl-3-piperidylidene]methyl]-2-(4-ethoxy-4-oxo-butyl)triazole-1-carboxylate hydrochloride CAS Name: 3-[(E)-[1-[2-cyclopropyl-1-(2-fluorophenyl)-2-oxoethyl]-4-mercapto-3-piperidinylidene]methyl]-2-(4-ethoxy-4-oxobutyl)-1-triazolecarboxylic acid ethyl ester hydrochloride IUPAC Name: ethyl 3-[(E)-[1-[2-cyclopropyl-1-(2-fluorophenyl)-2-oxoethyl]-4-sulfanylpiperidin-3-ylidene]methyl]-2-(4-ethoxy-4-oxobutyl)triazole-1-carboxylate hydrochloride Traditional Name: 3-[(E)-[1-[2-cyclopropyl-1-(2-fluorophenyl)-2-keto-ethyl]-4-mercapto-3-piperidylidene]methyl]-2-(4-ethoxy-4-keto-butyl)triazole-1-carboxylic acid ethyl ester hydrochloride Formula: C28H38ClFN4O5S MolecularWeight: 597.141523

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCN1N(C=CN1C(=O)OCC)C=C2CN(CCC2S)C(C3=CC=CC=C3F)C(=O)C4CC4.Cl

Isomeric SMILES

CCOC(=O)CCCN1N(C=CN1C(=O)OCC)/C=C/2\CN(CCC2S)C(C3=CC=CC=C3F)C(=O)C4CC4.Cl

InChI

InChI=1S/C28H37FN4O5S.ClH/c1-3-37-25(34)10-7-14-33-31(16-17-32(33)28(36)38-4-2)19-21-18-30(15-13-24(21)39)26(27(35)20-11-12-20)22-8-5-6-9-23(22)29;/h5-6,8-9,16-17,19-20,24,26,39H,3-4,7,10-15,18H2,1-2H3;1H/b21-19+;