diethyl 2-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-3-(2-hydroxyethylsulfanyl)butanedioate

Systemtic Name: diethyl 2-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-3-(2-hydroxyethylsulfanyl)butanedioate Openeye Name: diethyl 2-(2,4-dioxopyrimidin-1-yl)-3-(2-hydroxyethylsulfanyl)butanedioate CAS Name: 2-(2,4-dioxo-1-pyrimidinyl)-3-(2-hydroxyethylthio)butanedioic acid diethyl ester IUPAC Name: diethyl 2-(2,4-dioxopyrimidin-1-yl)-3-(2-hydroxyethylsulfanyl)butanedioate Traditional Name: 2-(2,4-diketopyrimidin-1-yl)-3-(2-hydroxyethylthio)succinic acid diethyl ester Formula: C14H20N2O7S MolecularWeight: 360.3828

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C(C(=O)OCC)SCCO)N1C=CC(=O)NC1=O

Isomeric SMILES

CCOC(=O)C(C(C(=O)OCC)SCCO)N1C=CC(=O)NC1=O

InChI

InChI=1S/C14H20N2O7S/c1-3-22-12(19)10(16-6-5-9(18)15-14(16)21)11(24-8-7-17)13(20)23-4-2/h5-6,10-11,17H,3-4,7-8H2,1-2H3,(H,15,18,21)