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

Systemtic Name: methyl 2-ethyl-5-[[4-(2-ethylphenyl)piperazin-1-yl]carbonylsulfanylamino]-6-methoxy-pyridine-3-carboxylate Openeye Name: methyl 2-ethyl-5-[[4-(2-ethylphenyl)piperazine-1-carbonyl]sulfanylamino]-6-methoxy-pyridine-3-carboxylate CAS Name: 2-ethyl-5-[[[[4-(2-ethylphenyl)-1-piperazinyl]-oxomethyl]thio]amino]-6-methoxy-3-pyridinecarboxylic acid methyl ester IUPAC Name: methyl 2-ethyl-5-[[4-(2-ethylphenyl)piperazine-1-carbonyl]sulfanylamino]-6-methoxypyridine-3-carboxylate Traditional Name: 2-ethyl-5-[[[4-(2-ethylphenyl)piperazine-1-carbonyl]thio]amino]-6-methoxy-nicotinic acid methyl ester Formula: C23H30N4O4S MolecularWeight: 458.5737

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1N2CCN(CC2)C(=O)SNC3=C(N=C(C(=C3)C(=O)OC)CC)OC

Isomeric SMILES

CCC1=CC=CC=C1N2CCN(CC2)C(=O)SNC3=C(N=C(C(=C3)C(=O)OC)CC)OC

InChI

InChI=1S/C23H30N4O4S/c1-5-16-9-7-8-10-20(16)26-11-13-27(14-12-26)23(29)32-25-19-15-17(22(28)31-4)18(6-2)24-21(19)30-3/h7-10,15,25H,5-6,11-14H2,1-4H3