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

Systemtic Name: 2-(4,6,7-trimethylquinazolin-2-yl)sulfanylethyl 2-methoxybenzoate Openeye Name: 2-(4,6,7-trimethylquinazolin-2-yl)sulfanylethyl 2-methoxybenzoate CAS Name: 2-methoxybenzoic acid 2-[(4,6,7-trimethyl-2-quinazolinyl)thio]ethyl ester IUPAC Name: 2-(4,6,7-trimethylquinazolin-2-yl)sulfanylethyl 2-methoxybenzoate Traditional Name: 2-methoxybenzoic acid 2-[(4,6,7-trimethylquinazolin-2-yl)thio]ethyl ester Formula: C21H22N2O3S MolecularWeight: 382.47598

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1)C(=NC(=N2)SCCOC(=O)C3=CC=CC=C3OC)C)C

Isomeric SMILES

CC1=C(C=C2C(=C1)C(=NC(=N2)SCCOC(=O)C3=CC=CC=C3OC)C)C

InChI

InChI=1S/C21H22N2O3S/c1-13-11-17-15(3)22-21(23-18(17)12-14(13)2)27-10-9-26-20(24)16-7-5-6-8-19(16)25-4/h5-8,11-12H,9-10H2,1-4H3