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

Systemtic Name: methyl 2-ethyl-6-methoxy-5-[2-methyl-4-(2-methylsulfanylphenyl)piperazin-1-yl]pyridine-3-carboxylate Openeye Name: methyl 2-ethyl-6-methoxy-5-[2-methyl-4-(2-methylsulfanylphenyl)piperazin-1-yl]pyridine-3-carboxylate CAS Name: 2-ethyl-6-methoxy-5-[2-methyl-4-[2-(methylthio)phenyl]-1-piperazinyl]-3-pyridinecarboxylic acid methyl ester IUPAC Name: methyl 2-ethyl-6-methoxy-5-[2-methyl-4-(2-methylsulfanylphenyl)piperazin-1-yl]pyridine-3-carboxylate Traditional Name: 2-ethyl-6-methoxy-5-[2-methyl-4-[2-(methylthio)phenyl]piperazino]nicotinic acid methyl ester Formula: C22H29N3O3S MolecularWeight: 415.54896

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC(=C(C=C1C(=O)OC)N2CCN(CC2C)C3=CC=CC=C3SC)OC

Isomeric SMILES

CCC1=NC(=C(C=C1C(=O)OC)N2CCN(CC2C)C3=CC=CC=C3SC)OC

InChI

InChI=1S/C22H29N3O3S/c1-6-17-16(22(26)28-4)13-19(21(23-17)27-3)25-12-11-24(14-15(25)2)18-9-7-8-10-20(18)29-5/h7-10,13,15H,6,11-12,14H2,1-5H3