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

Systemtic Name: methyl 3-[5-(4-phenylphenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanylpropanoate Openeye Name: methyl 3-[5-(4-phenylphenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanylpropanoate CAS Name: 3-[[5-(4-phenylphenyl)-4-thieno[2,3-d]pyrimidinyl]thio]propanoic acid methyl ester IUPAC Name: methyl 3-[5-(4-phenylphenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanylpropanoate Traditional Name: 3-[[5-(4-phenylphenyl)thieno[2,3-d]pyrimidin-4-yl]thio]propionic acid methyl ester Formula: C22H18N2O2S2 MolecularWeight: 406.52052

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCSC1=NC=NC2=C1C(=CS2)C3=CC=C(C=C3)C4=CC=CC=C4

Isomeric SMILES

COC(=O)CCSC1=NC=NC2=C1C(=CS2)C3=CC=C(C=C3)C4=CC=CC=C4

InChI

InChI=1S/C22H18N2O2S2/c1-26-19(25)11-12-27-21-20-18(13-28-22(20)24-14-23-21)17-9-7-16(8-10-17)15-5-3-2-4-6-15/h2-10,13-14H,11-12H2,1H3