methyl 2-[2-(phenylmethyl)quinazolin-4-yl]sulfanylethanoate

Systemtic Name: methyl 2-[2-(phenylmethyl)quinazolin-4-yl]sulfanylethanoate Openeye Name: methyl 2-(2-benzylquinazolin-4-yl)sulfanylacetate CAS Name: 2-[[2-(phenylmethyl)-4-quinazolinyl]thio]acetic acid methyl ester IUPAC Name: methyl 2-(2-benzylquinazolin-4-yl)sulfanylacetate Traditional Name: 2-[(2-benzylquinazolin-4-yl)thio]acetic acid methyl ester Formula: C18H16N2O2S MolecularWeight: 324.39684

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CSC1=NC(=NC2=CC=CC=C21)CC3=CC=CC=C3

Isomeric SMILES

COC(=O)CSC1=NC(=NC2=CC=CC=C21)CC3=CC=CC=C3

InChI

InChI=1S/C18H16N2O2S/c1-22-17(21)12-23-18-14-9-5-6-10-15(14)19-16(20-18)11-13-7-3-2-4-8-13/h2-10H,11-12H2,1H3