ethyl 4-[3-(2-pyridin-2-ylethylsulfanyl)propanoylamino]benzoate

Systemtic Name: ethyl 4-[3-(2-pyridin-2-ylethylsulfanyl)propanoylamino]benzoate Openeye Name: ethyl 4-[3-[2-(2-pyridyl)ethylsulfanyl]propanoylamino]benzoate CAS Name: 4-[[1-oxo-3-[2-(2-pyridinyl)ethylthio]propyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[3-(2-pyridin-2-ylethylsulfanyl)propanoylamino]benzoate Traditional Name: 4-[3-[2-(2-pyridyl)ethylthio]propanoylamino]benzoic acid ethyl ester Formula: C19H22N2O3S MolecularWeight: 358.45458

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)CCSCCC2=CC=CC=N2

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)CCSCCC2=CC=CC=N2

InChI

InChI=1S/C19H22N2O3S/c1-2-24-19(23)15-6-8-17(9-7-15)21-18(22)11-14-25-13-10-16-5-3-4-12-20-16/h3-9,12H,2,10-11,13-14H2,1H3,(H,21,22)