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

Systemtic Name: methyl 6-methoxy-2-methyl-5-[(2-methylsulfanylcarbonyl-4-phenyl-piperazin-1-yl)amino]pyridine-3-carboxylate Openeye Name: methyl 6-methoxy-2-methyl-5-[(2-methylsulfanylcarbonyl-4-phenyl-piperazin-1-yl)amino]pyridine-3-carboxylate CAS Name: 6-methoxy-2-methyl-5-[[2-[(methylthio)-oxomethyl]-4-phenyl-1-piperazinyl]amino]-3-pyridinecarboxylic acid methyl ester IUPAC Name: methyl 6-methoxy-2-methyl-5-[(2-methylsulfanylcarbonyl-4-phenylpiperazin-1-yl)amino]pyridine-3-carboxylate Traditional Name: 6-methoxy-2-methyl-5-[[2-(methylthio)carbonyl-4-phenyl-piperazino]amino]nicotinic acid methyl ester Formula: C21H26N4O4S MolecularWeight: 430.52054

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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)OC

Isomeric SMILES

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

InChI

InChI=1S/C21H26N4O4S/c1-14-16(20(26)29-3)12-17(19(22-14)28-2)23-25-11-10-24(13-18(25)21(27)30-4)15-8-6-5-7-9-15/h5-9,12,18,23H,10-11,13H2,1-4H3