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

Systemtic Name: methyl 2-ethyl-6-methoxy-5-[[4-(2-methylsulfanylphenyl)piperazin-1-yl]carbonylsulfanylamino]pyridine-3-carboxylate Openeye Name: methyl 2-ethyl-6-methoxy-5-[[4-(2-methylsulfanylphenyl)piperazine-1-carbonyl]sulfanylamino]pyridine-3-carboxylate CAS Name: 2-ethyl-6-methoxy-5-[[[[4-[2-(methylthio)phenyl]-1-piperazinyl]-oxomethyl]thio]amino]-3-pyridinecarboxylic acid methyl ester IUPAC Name: methyl 2-ethyl-6-methoxy-5-[[4-(2-methylsulfanylphenyl)piperazine-1-carbonyl]sulfanylamino]pyridine-3-carboxylate Traditional Name: 2-ethyl-6-methoxy-5-[[[4-[2-(methylthio)phenyl]piperazine-1-carbonyl]thio]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)NSC(=O)N2CCN(CC2)C3=CC=CC=C3SC)OC

Isomeric SMILES

CCC1=NC(=C(C=C1C(=O)OC)NSC(=O)N2CCN(CC2)C3=CC=CC=C3SC)OC

InChI

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