dimethyl (2S,3S)-2,3-bis(pyrimidin-2-ylsulfanyl)butanedioate

Systemtic Name: dimethyl (2S,3S)-2,3-bis(pyrimidin-2-ylsulfanyl)butanedioate Openeye Name: dimethyl (2S,3S)-2,3-bis(pyrimidin-2-ylsulfanyl)butanedioate CAS Name: (2S,3S)-2,3-bis(2-pyrimidinylthio)butanedioic acid dimethyl ester IUPAC Name: dimethyl (2S,3S)-2,3-bis(pyrimidin-2-ylsulfanyl)butanedioate Traditional Name: (2S,3S)-2,3-bis(2-pyrimidylthio)succinic acid dimethyl ester Formula: C14H14N4O4S2 MolecularWeight: 366.41536

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(C(C(=O)OC)SC1=NC=CC=N1)SC2=NC=CC=N2

Isomeric SMILES

COC(=O)[C@@H]([C@H](C(=O)OC)SC1=NC=CC=N1)SC2=NC=CC=N2

InChI

InChI=1S/C14H14N4O4S2/c1-21-11(19)9(23-13-15-5-3-6-16-13)10(12(20)22-2)24-14-17-7-4-8-18-14/h3-10H,1-2H3/t9-,10-/m1/s1