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

Systemtic Name: methyl 2-ethyl-6-methoxy-5-[[4-(4-methylsulfanylcarbonylphenyl)piperazin-1-yl]amino]pyridine-3-carboxylate Openeye Name: methyl 2-ethyl-6-methoxy-5-[[4-(4-methylsulfanylcarbonylphenyl)piperazin-1-yl]amino]pyridine-3-carboxylate CAS Name: 2-ethyl-6-methoxy-5-[[4-[4-[(methylthio)-oxomethyl]phenyl]-1-piperazinyl]amino]-3-pyridinecarboxylic acid methyl ester IUPAC Name: methyl 2-ethyl-6-methoxy-5-[[4-(4-methylsulfanylcarbonylphenyl)piperazin-1-yl]amino]pyridine-3-carboxylate Traditional Name: 2-ethyl-6-methoxy-5-[[4-[4-(methylthio)carbonylphenyl]piperazino]amino]nicotinic acid methyl ester Formula: C22H28N4O4S MolecularWeight: 444.54712

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H28N4O4S/c1-5-18-17(21(27)30-3)14-19(20(23-18)29-2)24-26-12-10-25(11-13-26)16-8-6-15(7-9-16)22(28)31-4/h6-9,14,24H,5,10-13H2,1-4H3