[3-(4-chloranylthiophen-2-yl)sulfanyl-1-(methylamino)-3-pyridin-3-yl-propyl] 2-phenylpropanoate

Systemtic Name: [3-(4-chloranylthiophen-2-yl)sulfanyl-1-(methylamino)-3-pyridin-3-yl-propyl] 2-phenylpropanoate Openeye Name: [3-[(4-chloro-2-thienyl)sulfanyl]-1-(methylamino)-3-(3-pyridyl)propyl] 2-phenylpropanoate CAS Name: 2-phenylpropanoic acid [3-[(4-chloro-2-thiophenyl)thio]-1-(methylamino)-3-(3-pyridinyl)propyl] ester IUPAC Name: [3-(4-chlorothiophen-2-yl)sulfanyl-1-(methylamino)-3-pyridin-3-ylpropyl] 2-phenylpropanoate Traditional Name: 2-phenylpropionic acid [3-[(4-chloro-2-thienyl)thio]-1-(methylamino)-3-(3-pyridyl)propyl] ester Formula: C22H23ClN2O2S2 MolecularWeight: 447.01322

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)C(=O)OC(CC(C2=CN=CC=C2)SC3=CC(=CS3)Cl)NC

Isomeric SMILES

CC(C1=CC=CC=C1)C(=O)OC(CC(C2=CN=CC=C2)SC3=CC(=CS3)Cl)NC

InChI

InChI=1S/C22H23ClN2O2S2/c1-15(16-7-4-3-5-8-16)22(26)27-20(24-2)12-19(17-9-6-10-25-13-17)29-21-11-18(23)14-28-21/h3-11,13-15,19-20,24H,12H2,1-2H3