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

Systemtic Name: 2-(4,6,7-trimethylquinazolin-2-yl)sulfanylethyl 3,4-dimethoxybenzoate Openeye Name: 2-(4,6,7-trimethylquinazolin-2-yl)sulfanylethyl 3,4-dimethoxybenzoate CAS Name: 3,4-dimethoxybenzoic acid 2-[(4,6,7-trimethyl-2-quinazolinyl)thio]ethyl ester IUPAC Name: 2-(4,6,7-trimethylquinazolin-2-yl)sulfanylethyl 3,4-dimethoxybenzoate Traditional Name: 3,4-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(=C(C=C3)OC)OC)C)C

Isomeric SMILES

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

InChI

InChI=1S/C22H24N2O4S/c1-13-10-17-15(3)23-22(24-18(17)11-14(13)2)29-9-8-28-21(25)16-6-7-19(26-4)20(12-16)27-5/h6-7,10-12H,8-9H2,1-5H3