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

Systemtic Name: methyl 2-ethyl-6-methoxy-5-[[4-(3-methyl-5-methylsulfanylcarbonyl-phenyl)piperazin-1-yl]amino]pyridine-3-carboxylate Openeye Name: methyl 2-ethyl-6-methoxy-5-[[4-(3-methyl-5-methylsulfanylcarbonyl-phenyl)piperazin-1-yl]amino]pyridine-3-carboxylate CAS Name: 2-ethyl-6-methoxy-5-[[4-[3-methyl-5-[(methylthio)-oxomethyl]phenyl]-1-piperazinyl]amino]-3-pyridinecarboxylic acid methyl ester IUPAC Name: methyl 2-ethyl-6-methoxy-5-[[4-(3-methyl-5-methylsulfanylcarbonylphenyl)piperazin-1-yl]amino]pyridine-3-carboxylate Traditional Name: 2-ethyl-6-methoxy-5-[[4-[3-methyl-5-(methylthio)carbonyl-phenyl]piperazino]amino]nicotinic acid methyl ester Formula: C23H30N4O4S MolecularWeight: 458.5737

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC(=C(C=C1C(=O)OC)NN2CCN(CC2)C3=CC(=CC(=C3)C)C(=O)SC)OC

Isomeric SMILES

CCC1=NC(=C(C=C1C(=O)OC)NN2CCN(CC2)C3=CC(=CC(=C3)C)C(=O)SC)OC

InChI

InChI=1S/C23H30N4O4S/c1-6-19-18(22(28)31-4)14-20(21(24-19)30-3)25-27-9-7-26(8-10-27)17-12-15(2)11-16(13-17)23(29)32-5/h11-14,25H,6-10H2,1-5H3