2-[(2-phenyl-7,8-dihydro-6H-thiopyrano[3,2-d]pyrimidin-4-yl)sulfanyl]ethanoate

Systemtic Name: 2-[(2-phenyl-7,8-dihydro-6H-thiopyrano[3,2-d]pyrimidin-4-yl)sulfanyl]ethanoate Openeye Name: 2-[(2-phenyl-7,8-dihydro-6H-thiopyrano[3,2-d]pyrimidin-4-yl)sulfanyl]acetate CAS Name: 2-[(2-phenyl-7,8-dihydro-6H-thiopyrano[3,2-d]pyrimidin-4-yl)thio]acetate IUPAC Name: 2-[(2-phenyl-7,8-dihydro-6H-thiopyrano[3,2-d]pyrimidin-4-yl)sulfanyl]acetate Traditional Name: 2-[(2-phenyl-7,8-dihydro-6H-thiopyrano[3,2-d]pyrimidin-4-yl)thio]acetate Formula: C15H13N2O2S2- MolecularWeight: 317.40592

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C(=NC(=N2)C3=CC=CC=C3)SCC(=O)[O-])SC1

Isomeric SMILES

C1CC2=C(C(=NC(=N2)C3=CC=CC=C3)SCC(=O)[O-])SC1

InChI

InChI=1S/C15H14N2O2S2/c18-12(19)9-21-15-13-11(7-4-8-20-13)16-14(17-15)10-5-2-1-3-6-10/h1-3,5-6H,4,7-9H2,(H,18,19)/p-1