ethyl (2S)-2-[2-[(4-chlorophenyl)methyl]quinazolin-4-yl]sulfanylpropanoate

Systemtic Name: ethyl (2S)-2-[2-[(4-chlorophenyl)methyl]quinazolin-4-yl]sulfanylpropanoate Openeye Name: ethyl (2S)-2-[2-[(4-chlorophenyl)methyl]quinazolin-4-yl]sulfanylpropanoate CAS Name: (2S)-2-[[2-[(4-chlorophenyl)methyl]-4-quinazolinyl]thio]propanoic acid ethyl ester IUPAC Name: ethyl (2S)-2-[2-[(4-chlorophenyl)methyl]quinazolin-4-yl]sulfanylpropanoate Traditional Name: (2S)-2-[[2-(4-chlorobenzyl)quinazolin-4-yl]thio]propionic acid ethyl ester Formula: C20H19ClN2O2S MolecularWeight: 386.89506

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C)SC1=NC(=NC2=CC=CC=C21)CC3=CC=C(C=C3)Cl

Isomeric SMILES

CCOC(=O)[C@H](C)SC1=NC(=NC2=CC=CC=C21)CC3=CC=C(C=C3)Cl

InChI

InChI=1S/C20H19ClN2O2S/c1-3-25-20(24)13(2)26-19-16-6-4-5-7-17(16)22-18(23-19)12-14-8-10-15(21)11-9-14/h4-11,13H,3,12H2,1-2H3/t13-/m0/s1