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

Systemtic Name: methyl 2-ethyl-6-methoxy-5-[[4-[2-(2-methylsulfanyl-2-oxidanylidene-ethyl)phenyl]piperazin-1-yl]amino]pyridine-3-carboxylate Openeye Name: methyl 2-ethyl-6-methoxy-5-[[4-[2-(2-methylsulfanyl-2-oxo-ethyl)phenyl]piperazin-1-yl]amino]pyridine-3-carboxylate CAS Name: 2-ethyl-6-methoxy-5-[[4-[2-[2-(methylthio)-2-oxoethyl]phenyl]-1-piperazinyl]amino]-3-pyridinecarboxylic acid methyl ester IUPAC Name: methyl 2-ethyl-6-methoxy-5-[[4-[2-(2-methylsulfanyl-2-oxoethyl)phenyl]piperazin-1-yl]amino]pyridine-3-carboxylate Traditional Name: 2-ethyl-5-[[4-[2-[2-keto-2-(methylthio)ethyl]phenyl]piperazino]amino]-6-methoxy-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=C3CC(=O)SC)OC

Isomeric SMILES

CCC1=NC(=C(C=C1C(=O)OC)NN2CCN(CC2)C3=CC=CC=C3CC(=O)SC)OC

InChI

InChI=1S/C23H30N4O4S/c1-5-18-17(23(29)31-3)15-19(22(24-18)30-2)25-27-12-10-26(11-13-27)20-9-7-6-8-16(20)14-21(28)32-4/h6-9,15,25H,5,10-14H2,1-4H3