3-[5-(4-chlorophenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanylpropanoate

Systemtic Name: 3-[5-(4-chlorophenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanylpropanoate Openeye Name: 3-[5-(4-chlorophenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanylpropanoate CAS Name: 3-[[5-(4-chlorophenyl)-4-thieno[2,3-d]pyrimidinyl]thio]propanoate IUPAC Name: 3-[5-(4-chlorophenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanylpropanoate Traditional Name: 3-[[5-(4-chlorophenyl)thieno[2,3-d]pyrimidin-4-yl]thio]propionate Formula: C15H10ClN2O2S2- MolecularWeight: 349.8351

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=CSC3=C2C(=NC=N3)SCCC(=O)[O-])Cl

Isomeric SMILES

C1=CC(=CC=C1C2=CSC3=C2C(=NC=N3)SCCC(=O)[O-])Cl

InChI

InChI=1S/C15H11ClN2O2S2/c16-10-3-1-9(2-4-10)11-7-22-15-13(11)14(17-8-18-15)21-6-5-12(19)20/h1-4,7-8H,5-6H2,(H,19,20)/p-1