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

Systemtic Name: methyl 5-[[4-(3-chlorophenyl)-2-methylsulfanylcarbonyl-piperazin-1-yl]amino]-6-methoxy-2-methyl-pyridine-3-carboxylate Openeye Name: methyl 5-[[4-(3-chlorophenyl)-2-methylsulfanylcarbonyl-piperazin-1-yl]amino]-6-methoxy-2-methyl-pyridine-3-carboxylate CAS Name: 5-[[4-(3-chlorophenyl)-2-[(methylthio)-oxomethyl]-1-piperazinyl]amino]-6-methoxy-2-methyl-3-pyridinecarboxylic acid methyl ester IUPAC Name: methyl 5-[[4-(3-chlorophenyl)-2-methylsulfanylcarbonylpiperazin-1-yl]amino]-6-methoxy-2-methylpyridine-3-carboxylate Traditional Name: 5-[[4-(3-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=C3)Cl)OC

Isomeric SMILES

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

InChI

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