N-[3-(3,4-diethoxyphenyl)-1,2-oxazol-5-yl]-3-(2-pyridin-2-ylethylsulfanyl)propanamide

Systemtic Name: N-[3-(3,4-diethoxyphenyl)-1,2-oxazol-5-yl]-3-(2-pyridin-2-ylethylsulfanyl)propanamide Openeye Name: N-[3-(3,4-diethoxyphenyl)isoxazol-5-yl]-3-[2-(2-pyridyl)ethylsulfanyl]propanamide CAS Name: N-[3-(3,4-diethoxyphenyl)-5-isoxazolyl]-3-[2-(2-pyridinyl)ethylthio]propanamide IUPAC Name: N-[3-(3,4-diethoxyphenyl)-1,2-oxazol-5-yl]-3-(2-pyridin-2-ylethylsulfanyl)propanamide Traditional Name: N-[3-(3,4-diethoxyphenyl)isoxazol-5-yl]-3-[2-(2-pyridyl)ethylthio]propionamide Formula: C23H27N3O4S MolecularWeight: 441.54318

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C2=NOC(=C2)NC(=O)CCSCCC3=CC=CC=N3)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)C2=NOC(=C2)NC(=O)CCSCCC3=CC=CC=N3)OCC

InChI

InChI=1S/C23H27N3O4S/c1-3-28-20-9-8-17(15-21(20)29-4-2)19-16-23(30-26-19)25-22(27)11-14-31-13-10-18-7-5-6-12-24-18/h5-9,12,15-16H,3-4,10-11,13-14H2,1-2H3,(H,25,27)