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

Systemtic Name: methyl 6-methoxy-2-methyl-5-[[4-(2-methylsulfanylcarbonyloxyphenyl)piperazin-1-yl]amino]pyridine-3-carboxylate Openeye Name: methyl 6-methoxy-2-methyl-5-[[4-(2-methylsulfanylcarbonyloxyphenyl)piperazin-1-yl]amino]pyridine-3-carboxylate CAS Name: 6-methoxy-2-methyl-5-[[4-[2-[(methylthio)-oxomethoxy]phenyl]-1-piperazinyl]amino]-3-pyridinecarboxylic acid methyl ester IUPAC Name: methyl 6-methoxy-2-methyl-5-[[4-(2-methylsulfanylcarbonyloxyphenyl)piperazin-1-yl]amino]pyridine-3-carboxylate Traditional Name: 6-methoxy-2-methyl-5-[[4-[2-(methylthio)carbonyloxyphenyl]piperazino]amino]nicotinic acid methyl ester Formula: C21H26N4O5S MolecularWeight: 446.51994

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(C=C1C(=O)OC)NN2CCN(CC2)C3=CC=CC=C3OC(=O)SC)OC

Isomeric SMILES

CC1=NC(=C(C=C1C(=O)OC)NN2CCN(CC2)C3=CC=CC=C3OC(=O)SC)OC

InChI

InChI=1S/C21H26N4O5S/c1-14-15(20(26)29-3)13-16(19(22-14)28-2)23-25-11-9-24(10-12-25)17-7-5-6-8-18(17)30-21(27)31-4/h5-8,13,23H,9-12H2,1-4H3