3-[3-[(Z)-[1-[2-cyclopropyl-1-(2-fluorophenyl)-2-oxidanylidene-ethyl]-4-ethanoylsulfanyl-piperidin-3-ylidene]methyl]pyrazol-1-yl]propanoic acid

Systemtic Name: 3-[3-[(Z)-[1-[2-cyclopropyl-1-(2-fluorophenyl)-2-oxidanylidene-ethyl]-4-ethanoylsulfanyl-piperidin-3-ylidene]methyl]pyrazol-1-yl]propanoic acid Openeye Name: 3-[3-[(Z)-[4-acetylsulfanyl-1-[2-cyclopropyl-1-(2-fluorophenyl)-2-oxo-ethyl]-3-piperidylidene]methyl]pyrazol-1-yl]propanoic acid CAS Name: 3-[3-[(Z)-[4-(acetylthio)-1-[2-cyclopropyl-1-(2-fluorophenyl)-2-oxoethyl]-3-piperidinylidene]methyl]-1-pyrazolyl]propanoic acid IUPAC Name: 3-[3-[(Z)-[4-acetylsulfanyl-1-[2-cyclopropyl-1-(2-fluorophenyl)-2-oxoethyl]piperidin-3-ylidene]methyl]pyrazol-1-yl]propanoic acid Traditional Name: 3-[3-[(Z)-[4-(acetylthio)-1-[2-cyclopropyl-1-(2-fluorophenyl)-2-keto-ethyl]-3-piperidylidene]methyl]pyrazol-1-yl]propionic acid Formula: C25H28FN3O4S MolecularWeight: 485.570923

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SC1CCN(CC1=CC2=NN(C=C2)CCC(=O)O)C(C3=CC=CC=C3F)C(=O)C4CC4

Isomeric SMILES

CC(=O)SC\1CCN(C/C1=C/C2=NN(C=C2)CCC(=O)O)C(C3=CC=CC=C3F)C(=O)C4CC4

InChI

InChI=1S/C25H28FN3O4S/c1-16(30)34-22-9-11-28(15-18(22)14-19-8-12-29(27-19)13-10-23(31)32)24(25(33)17-6-7-17)20-4-2-3-5-21(20)26/h2-5,8,12,14,17,22,24H,6-7,9-11,13,15H2,1H3,(H,31,32)/b18-14-