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

Systemtic Name: methyl 5-[[4-(2-chlorophenyl)-2-methylsulfanylcarbonyl-piperazin-1-yl]amino]-6-methoxy-2-methyl-pyridine-3-carboxylate Openeye Name: methyl 5-[[4-(2-chlorophenyl)-2-methylsulfanylcarbonyl-piperazin-1-yl]amino]-6-methoxy-2-methyl-pyridine-3-carboxylate CAS Name: 5-[[4-(2-chlorophenyl)-2-[(methylthio)-oxomethyl]-1-piperazinyl]amino]-6-methoxy-2-methyl-3-pyridinecarboxylic acid methyl ester IUPAC Name: methyl 5-[[4-(2-chlorophenyl)-2-methylsulfanylcarbonylpiperazin-1-yl]amino]-6-methoxy-2-methylpyridine-3-carboxylate Traditional Name: 5-[[4-(2-chlorophenyl)-2-(methylthio)carbonyl-piperazino]amino]-6-methoxy-2-methyl-nicotinic acid methyl ester Formula: C21H25ClN4O4S MolecularWeight: 464.9656

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(C=C1C(=O)OC)NN2CCN(CC2C(=O)SC)C3=CC=CC=C3Cl)OC

Isomeric SMILES

CC1=NC(=C(C=C1C(=O)OC)NN2CCN(CC2C(=O)SC)C3=CC=CC=C3Cl)OC

InChI

InChI=1S/C21H25ClN4O4S/c1-13-14(20(27)30-3)11-16(19(23-13)29-2)24-26-10-9-25(12-18(26)21(28)31-4)17-8-6-5-7-15(17)22/h5-8,11,18,24H,9-10,12H2,1-4H3