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

Systemtic Name: methyl 2-ethyl-6-methoxy-5-[[4-(2-methylsulfanylcarbonylsulfanylphenyl)piperazin-1-yl]amino]pyridine-3-carboxylate Openeye Name: methyl 2-ethyl-6-methoxy-5-[[4-(2-methylsulfanylcarbonylsulfanylphenyl)piperazin-1-yl]amino]pyridine-3-carboxylate CAS Name: 2-ethyl-6-methoxy-5-[[4-[2-[[(methylthio)-oxomethyl]thio]phenyl]-1-piperazinyl]amino]-3-pyridinecarboxylic acid methyl ester IUPAC Name: methyl 2-ethyl-6-methoxy-5-[[4-(2-methylsulfanylcarbonylsulfanylphenyl)piperazin-1-yl]amino]pyridine-3-carboxylate Traditional Name: 2-ethyl-6-methoxy-5-[[4-[2-[(methylthio)carbonylthio]phenyl]piperazino]amino]nicotinic acid methyl ester Formula: C22H28N4O4S2 MolecularWeight: 476.61212

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC(=C(C=C1C(=O)OC)NN2CCN(CC2)C3=CC=CC=C3SC(=O)SC)OC

Isomeric SMILES

CCC1=NC(=C(C=C1C(=O)OC)NN2CCN(CC2)C3=CC=CC=C3SC(=O)SC)OC

InChI

InChI=1S/C22H28N4O4S2/c1-5-16-15(21(27)30-3)14-17(20(23-16)29-2)24-26-12-10-25(11-13-26)18-8-6-7-9-19(18)32-22(28)31-4/h6-9,14,24H,5,10-13H2,1-4H3