(2R)-2-(5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-ylsulfanyl)butanoate

Systemtic Name: (2R)-2-(5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-ylsulfanyl)butanoate Openeye Name: (2R)-2-(5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-4-ylsulfanyl)butanoate CAS Name: (2R)-2-(5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-ylthio)butanoate IUPAC Name: (2R)-2-(5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-ylsulfanyl)butanoate Traditional Name: (2R)-2-(5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-4-ylthio)butyrate Formula: C14H15N2O2S2- MolecularWeight: 307.4111

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)[O-])SC1=NC=NC2=C1C3=C(S2)CCCC3

Isomeric SMILES

CC[C@H](C(=O)[O-])SC1=NC=NC2=C1C3=C(S2)CCCC3

InChI

InChI=1S/C14H16N2O2S2/c1-2-9(14(17)18)19-12-11-8-5-3-4-6-10(8)20-13(11)16-7-15-12/h7,9H,2-6H2,1H3,(H,17,18)/p-1/t9-/m1/s1