ethyl 2-aminocarbonylsulfanyl-3-[4-[2-(5-ethylpyridin-2-yl)ethoxy]phenyl]propanoate

Systemtic Name: ethyl 2-aminocarbonylsulfanyl-3-[4-[2-(5-ethylpyridin-2-yl)ethoxy]phenyl]propanoate Openeye Name: ethyl 2-carbamoylsulfanyl-3-[4-[2-(5-ethyl-2-pyridyl)ethoxy]phenyl]propanoate CAS Name: 2-(carbamoylthio)-3-[4-[2-(5-ethyl-2-pyridinyl)ethoxy]phenyl]propanoic acid ethyl ester IUPAC Name: ethyl 2-carbamoylsulfanyl-3-[4-[2-(5-ethylpyridin-2-yl)ethoxy]phenyl]propanoate Traditional Name: 2-(carbamoylthio)-3-[4-[2-(5-ethyl-2-pyridyl)ethoxy]phenyl]propionic acid ethyl ester Formula: C21H26N2O4S MolecularWeight: 402.50714

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CN=C(C=C1)CCOC2=CC=C(C=C2)CC(C(=O)OCC)SC(=O)N

Isomeric SMILES

CCC1=CN=C(C=C1)CCOC2=CC=C(C=C2)CC(C(=O)OCC)SC(=O)N

InChI

InChI=1S/C21H26N2O4S/c1-3-15-5-8-17(23-14-15)11-12-27-18-9-6-16(7-10-18)13-19(28-21(22)25)20(24)26-4-2/h5-10,14,19H,3-4,11-13H2,1-2H3,(H2,22,25)