cyanomethyl 2-[5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanylethanoate

Systemtic Name: cyanomethyl 2-[5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanylethanoate Openeye Name: cyanomethyl 2-[5-(p-tolyl)thieno[2,3-d]pyrimidin-4-yl]sulfanylacetate CAS Name: 2-[[5-(4-methylphenyl)-4-thieno[2,3-d]pyrimidinyl]thio]acetic acid cyanomethyl ester IUPAC Name: cyanomethyl 2-[5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanylacetate Traditional Name: 2-[[5-(p-tolyl)thieno[2,3-d]pyrimidin-4-yl]thio]acetic acid cyanomethyl ester Formula: C17H13N3O2S2 MolecularWeight: 355.43402

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CSC3=C2C(=NC=N3)SCC(=O)OCC#N

Isomeric SMILES

CC1=CC=C(C=C1)C2=CSC3=C2C(=NC=N3)SCC(=O)OCC#N

InChI

InChI=1S/C17H13N3O2S2/c1-11-2-4-12(5-3-11)13-8-23-16-15(13)17(20-10-19-16)24-9-14(21)22-7-6-18/h2-5,8,10H,7,9H2,1H3