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

Systemtic Name: methyl 3-[4-[(Z)-[1-[2-cyclopropyl-1-(2-fluorophenyl)-2-oxidanylidene-ethyl]-4-ethanoylsulfanyl-piperidin-3-ylidene]methyl]-1,2,3-triazol-1-yl]propanoate Openeye Name: methyl 3-[4-[(Z)-[4-acetylsulfanyl-1-[2-cyclopropyl-1-(2-fluorophenyl)-2-oxo-ethyl]-3-piperidylidene]methyl]triazol-1-yl]propanoate CAS Name: 3-[4-[(Z)-[4-(acetylthio)-1-[2-cyclopropyl-1-(2-fluorophenyl)-2-oxoethyl]-3-piperidinylidene]methyl]-1-triazolyl]propanoic acid methyl ester IUPAC Name: methyl 3-[4-[(Z)-[4-acetylsulfanyl-1-[2-cyclopropyl-1-(2-fluorophenyl)-2-oxoethyl]piperidin-3-ylidene]methyl]triazol-1-yl]propanoate Traditional Name: 3-[4-[(Z)-[4-(acetylthio)-1-[2-cyclopropyl-1-(2-fluorophenyl)-2-keto-ethyl]-3-piperidylidene]methyl]triazol-1-yl]propionic acid methyl ester Formula: C25H29FN4O4S MolecularWeight: 500.585563

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SC1CCN(CC1=CC2=CN(N=N2)CCC(=O)OC)C(C3=CC=CC=C3F)C(=O)C4CC4

Isomeric SMILES

CC(=O)SC\1CCN(C/C1=C/C2=CN(N=N2)CCC(=O)OC)C(C3=CC=CC=C3F)C(=O)C4CC4

InChI

InChI=1S/C25H29FN4O4S/c1-16(31)35-22-9-11-29(24(25(33)17-7-8-17)20-5-3-4-6-21(20)26)14-18(22)13-19-15-30(28-27-19)12-10-23(32)34-2/h3-6,13,15,17,22,24H,7-12,14H2,1-2H3/b18-13-