methyl 5-[[4-[3,5-bis(fluoranyl)phenyl]-2-methylsulfanylcarbonyl-piperazin-1-yl]amino]-6-methoxy-2-methyl-pyridine-3-carboxylate

Systemtic Name: methyl 5-[[4-[3,5-bis(fluoranyl)phenyl]-2-methylsulfanylcarbonyl-piperazin-1-yl]amino]-6-methoxy-2-methyl-pyridine-3-carboxylate Openeye Name: methyl 5-[[4-(3,5-difluorophenyl)-2-methylsulfanylcarbonyl-piperazin-1-yl]amino]-6-methoxy-2-methyl-pyridine-3-carboxylate CAS Name: 5-[[4-(3,5-difluorophenyl)-2-[(methylthio)-oxomethyl]-1-piperazinyl]amino]-6-methoxy-2-methyl-3-pyridinecarboxylic acid methyl ester IUPAC Name: methyl 5-[[4-(3,5-difluorophenyl)-2-methylsulfanylcarbonylpiperazin-1-yl]amino]-6-methoxy-2-methylpyridine-3-carboxylate Traditional Name: 5-[[4-(3,5-difluorophenyl)-2-(methylthio)carbonyl-piperazino]amino]-6-methoxy-2-methyl-nicotinic acid methyl ester Formula: C21H24F2N4O4S MolecularWeight: 466.501466

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(C=C1C(=O)OC)NN2CCN(CC2C(=O)SC)C3=CC(=CC(=C3)F)F)OC

Isomeric SMILES

CC1=NC(=C(C=C1C(=O)OC)NN2CCN(CC2C(=O)SC)C3=CC(=CC(=C3)F)F)OC

InChI

InChI=1S/C21H24F2N4O4S/c1-12-16(20(28)31-3)10-17(19(24-12)30-2)25-27-6-5-26(11-18(27)21(29)32-4)15-8-13(22)7-14(23)9-15/h7-10,18,25H,5-6,11H2,1-4H3