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

Systemtic Name: (2-chlorophenyl)methyl 2-(5-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylpropanoate Openeye Name: (2-chlorophenyl)methyl 2-(5-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylpropanoate CAS Name: 2-[(5-phenyl-4-thieno[2,3-d]pyrimidinyl)thio]propanoic acid (2-chlorophenyl)methyl ester IUPAC Name: (2-chlorophenyl)methyl 2-(5-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylpropanoate Traditional Name: 2-[(5-phenylthieno[2,3-d]pyrimidin-4-yl)thio]propionic acid (2-chlorobenzyl) ester Formula: C22H17ClN2O2S2 MolecularWeight: 440.96558

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OCC1=CC=CC=C1Cl)SC2=NC=NC3=C2C(=CS3)C4=CC=CC=C4

Isomeric SMILES

CC(C(=O)OCC1=CC=CC=C1Cl)SC2=NC=NC3=C2C(=CS3)C4=CC=CC=C4

InChI

InChI=1S/C22H17ClN2O2S2/c1-14(22(26)27-11-16-9-5-6-10-18(16)23)29-21-19-17(15-7-3-2-4-8-15)12-28-20(19)24-13-25-21/h2-10,12-14H,11H2,1H3