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

Systemtic Name: butyl 3-(2-acetamidoethylsulfanylmethyl)-4-oxidanylidene-4-pyridin-3-yl-butanoate Openeye Name: butyl 3-(2-acetamidoethylsulfanylmethyl)-4-oxo-4-(3-pyridyl)butanoate CAS Name: 3-[(2-acetamidoethylthio)methyl]-4-oxo-4-(3-pyridinyl)butanoic acid butyl ester IUPAC Name: butyl 3-(2-acetamidoethylsulfanylmethyl)-4-oxo-4-pyridin-3-ylbutanoate Traditional Name: 3-[(2-acetamidoethylthio)methyl]-4-keto-4-(3-pyridyl)butyric acid butyl ester Formula: C18H26N2O4S MolecularWeight: 366.47504

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)CC(CSCCNC(=O)C)C(=O)C1=CN=CC=C1

Isomeric SMILES

CCCCOC(=O)CC(CSCCNC(=O)C)C(=O)C1=CN=CC=C1

InChI

InChI=1S/C18H26N2O4S/c1-3-4-9-24-17(22)11-16(13-25-10-8-20-14(2)21)18(23)15-6-5-7-19-12-15/h5-7,12,16H,3-4,8-11,13H2,1-2H3,(H,20,21)