diethyl 2-(2-hydroxyethylsulfanyl)-3-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]butanedioate

Systemtic Name: diethyl 2-(2-hydroxyethylsulfanyl)-3-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]butanedioate Openeye Name: diethyl 2-(2-hydroxyethylsulfanyl)-3-(5-methyl-2,4-dioxo-pyrimidin-1-yl)butanedioate CAS Name: 2-(2-hydroxyethylthio)-3-(5-methyl-2,4-dioxo-1-pyrimidinyl)butanedioic acid diethyl ester IUPAC Name: diethyl 2-(2-hydroxyethylsulfanyl)-3-(5-methyl-2,4-dioxopyrimidin-1-yl)butanedioate Traditional Name: 2-(2,4-diketo-5-methyl-pyrimidin-1-yl)-3-(2-hydroxyethylthio)succinic acid diethyl ester Formula: C15H22N2O7S MolecularWeight: 374.40938

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H22N2O7S/c1-4-23-13(20)10(11(25-7-6-18)14(21)24-5-2)17-8-9(3)12(19)16-15(17)22/h8,10-11,18H,4-7H2,1-3H3,(H,16,19,22)