(4-oxidanylidene-1H-thieno[3,2-d]pyrimidin-2-yl)methyl 2-(1,3-benzoxazol-2-ylsulfanyl)ethanoate

Systemtic Name: (4-oxidanylidene-1H-thieno[3,2-d]pyrimidin-2-yl)methyl 2-(1,3-benzoxazol-2-ylsulfanyl)ethanoate Openeye Name: (4-oxo-1H-thieno[3,2-d]pyrimidin-2-yl)methyl 2-(1,3-benzoxazol-2-ylsulfanyl)acetate CAS Name: 2-(1,3-benzoxazol-2-ylthio)acetic acid (4-oxo-1H-thieno[3,2-d]pyrimidin-2-yl)methyl ester IUPAC Name: (4-oxo-1H-thieno[3,2-d]pyrimidin-2-yl)methyl 2-(1,3-benzoxazol-2-ylsulfanyl)acetate Traditional Name: 2-(1,3-benzoxazol-2-ylthio)acetic acid (4-keto-1H-thieno[3,2-d]pyrimidin-2-yl)methyl ester Formula: C16H11N3O4S2 MolecularWeight: 373.40624

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(O2)SCC(=O)OCC3=NC(=O)C4=C(N3)C=CS4

Isomeric SMILES

C1=CC=C2C(=C1)N=C(O2)SCC(=O)OCC3=NC(=O)C4=C(N3)C=CS4

InChI

InChI=1S/C16H11N3O4S2/c20-13(8-25-16-18-9-3-1-2-4-11(9)23-16)22-7-12-17-10-5-6-24-14(10)15(21)19-12/h1-6H,7-8H2,(H,17,19,21)