2-(4,6,7-trimethylquinazolin-2-yl)sulfanylethyl benzoate

Systemtic Name: 2-(4,6,7-trimethylquinazolin-2-yl)sulfanylethyl benzoate Openeye Name: 2-(4,6,7-trimethylquinazolin-2-yl)sulfanylethyl benzoate CAS Name: benzoic acid 2-[(4,6,7-trimethyl-2-quinazolinyl)thio]ethyl ester IUPAC Name: 2-(4,6,7-trimethylquinazolin-2-yl)sulfanylethyl benzoate Traditional Name: benzoic acid 2-[(4,6,7-trimethylquinazolin-2-yl)thio]ethyl ester Formula: C20H20N2O2S MolecularWeight: 352.45

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1)C(=NC(=N2)SCCOC(=O)C3=CC=CC=C3)C)C

Isomeric SMILES

CC1=C(C=C2C(=C1)C(=NC(=N2)SCCOC(=O)C3=CC=CC=C3)C)C

InChI

InChI=1S/C20H20N2O2S/c1-13-11-17-15(3)21-20(22-18(17)12-14(13)2)25-10-9-24-19(23)16-7-5-4-6-8-16/h4-8,11-12H,9-10H2,1-3H3