[1,3-dimethyl-2,6-bis(oxidanylidene)pyrimidin-4-yl]methyl 2-benzamido-4-methylsulfanyl-butanoate

Systemtic Name: [1,3-dimethyl-2,6-bis(oxidanylidene)pyrimidin-4-yl]methyl 2-benzamido-4-methylsulfanyl-butanoate Openeye Name: (1,3-dimethyl-2,6-dioxo-pyrimidin-4-yl)methyl 2-benzamido-4-methylsulfanyl-butanoate CAS Name: 2-benzamido-4-(methylthio)butanoic acid (1,3-dimethyl-2,6-dioxo-4-pyrimidinyl)methyl ester IUPAC Name: (1,3-dimethyl-2,6-dioxopyrimidin-4-yl)methyl 2-benzamido-4-methylsulfanylbutanoate Traditional Name: 2-benzamido-4-(methylthio)butyric acid (2,6-diketo-1,3-dimethyl-pyrimidin-4-yl)methyl ester Formula: C19H23N3O5S MolecularWeight: 405.46802

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=CC(=O)N(C1=O)C)COC(=O)C(CCSC)NC(=O)C2=CC=CC=C2

Isomeric SMILES

CN1C(=CC(=O)N(C1=O)C)COC(=O)C(CCSC)NC(=O)C2=CC=CC=C2

InChI

InChI=1S/C19H23N3O5S/c1-21-14(11-16(23)22(2)19(21)26)12-27-18(25)15(9-10-28-3)20-17(24)13-7-5-4-6-8-13/h4-8,11,15H,9-10,12H2,1-3H3,(H,20,24)