(2-nitrophenyl)methyl 2-thieno[2,3-d]pyrimidin-4-ylsulfanylethanoate

Systemtic Name: (2-nitrophenyl)methyl 2-thieno[2,3-d]pyrimidin-4-ylsulfanylethanoate Openeye Name: (2-nitrophenyl)methyl 2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetate CAS Name: 2-(4-thieno[2,3-d]pyrimidinylthio)acetic acid (2-nitrophenyl)methyl ester IUPAC Name: (2-nitrophenyl)methyl 2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetate Traditional Name: 2-(thieno[2,3-d]pyrimidin-4-ylthio)acetic acid (2-nitrobenzyl) ester Formula: C15H11N3O4S2 MolecularWeight: 361.39554

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)COC(=O)CSC2=NC=NC3=C2C=CS3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C(=C1)COC(=O)CSC2=NC=NC3=C2C=CS3)[N+](=O)[O-]

InChI

InChI=1S/C15H11N3O4S2/c19-13(22-7-10-3-1-2-4-12(10)18(20)21)8-24-15-11-5-6-23-14(11)16-9-17-15/h1-6,9H,7-8H2