3-pyridin-3-ylpropyl 3-(2-acetamidoethylsulfanylmethyl)-4-oxidanylidene-4-pyridin-3-yl-butanoate

Systemtic Name: 3-pyridin-3-ylpropyl 3-(2-acetamidoethylsulfanylmethyl)-4-oxidanylidene-4-pyridin-3-yl-butanoate Openeye Name: 3-(3-pyridyl)propyl 3-(2-acetamidoethylsulfanylmethyl)-4-oxo-4-(3-pyridyl)butanoate CAS Name: 3-[(2-acetamidoethylthio)methyl]-4-oxo-4-(3-pyridinyl)butanoic acid 3-(3-pyridinyl)propyl ester IUPAC Name: 3-pyridin-3-ylpropyl 3-(2-acetamidoethylsulfanylmethyl)-4-oxo-4-pyridin-3-ylbutanoate Traditional Name: 3-[(2-acetamidoethylthio)methyl]-4-keto-4-(3-pyridyl)butyric acid 3-(3-pyridyl)propyl ester Formula: C22H27N3O4S MolecularWeight: 429.53248

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCCSCC(CC(=O)OCCCC1=CN=CC=C1)C(=O)C2=CN=CC=C2

Isomeric SMILES

CC(=O)NCCSCC(CC(=O)OCCCC1=CN=CC=C1)C(=O)C2=CN=CC=C2

InChI

InChI=1S/C22H27N3O4S/c1-17(26)25-10-12-30-16-20(22(28)19-7-3-9-24-15-19)13-21(27)29-11-4-6-18-5-2-8-23-14-18/h2-3,5,7-9,14-15,20H,4,6,10-13,16H2,1H3,(H,25,26)