[(1R)-1-(3-nitrophenyl)ethyl] 2-thieno[2,3-d]pyrimidin-4-ylsulfanylethanoate

Systemtic Name: [(1R)-1-(3-nitrophenyl)ethyl] 2-thieno[2,3-d]pyrimidin-4-ylsulfanylethanoate Openeye Name: [(1R)-1-(3-nitrophenyl)ethyl] 2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetate CAS Name: 2-(4-thieno[2,3-d]pyrimidinylthio)acetic acid [(1R)-1-(3-nitrophenyl)ethyl] ester IUPAC Name: [(1R)-1-(3-nitrophenyl)ethyl] 2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetate Traditional Name: 2-(thieno[2,3-d]pyrimidin-4-ylthio)acetic acid [(1R)-1-(3-nitrophenyl)ethyl] ester Formula: C16H13N3O4S2 MolecularWeight: 375.42212

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H13N3O4S2/c1-10(11-3-2-4-12(7-11)19(21)22)23-14(20)8-25-16-13-5-6-24-15(13)17-9-18-16/h2-7,9-10H,8H2,1H3/t10-/m1/s1