2-(4,6,7-trimethylquinazolin-2-yl)sulfanylethyl 3,5-dimethoxybenzoate

Systemtic Name: 2-(4,6,7-trimethylquinazolin-2-yl)sulfanylethyl 3,5-dimethoxybenzoate Openeye Name: 2-(4,6,7-trimethylquinazolin-2-yl)sulfanylethyl 3,5-dimethoxybenzoate CAS Name: 3,5-dimethoxybenzoic acid 2-[(4,6,7-trimethyl-2-quinazolinyl)thio]ethyl ester IUPAC Name: 2-(4,6,7-trimethylquinazolin-2-yl)sulfanylethyl 3,5-dimethoxybenzoate Traditional Name: 3,5-dimethoxybenzoic acid 2-[(4,6,7-trimethylquinazolin-2-yl)thio]ethyl ester Formula: C22H24N2O4S MolecularWeight: 412.50196

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H24N2O4S/c1-13-8-19-15(3)23-22(24-20(19)9-14(13)2)29-7-6-28-21(25)16-10-17(26-4)12-18(11-16)27-5/h8-12H,6-7H2,1-5H3