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

Systemtic Name: 2-(4,6,7-trimethylquinazolin-2-yl)sulfanylethyl 3-methylbenzoate Openeye Name: 2-(4,6,7-trimethylquinazolin-2-yl)sulfanylethyl 3-methylbenzoate CAS Name: 3-methylbenzoic acid 2-[(4,6,7-trimethyl-2-quinazolinyl)thio]ethyl ester IUPAC Name: 2-(4,6,7-trimethylquinazolin-2-yl)sulfanylethyl 3-methylbenzoate Traditional Name: 3-methylbenzoic acid 2-[(4,6,7-trimethylquinazolin-2-yl)thio]ethyl ester Formula: C21H22N2O2S MolecularWeight: 366.47658

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)OCCSC2=NC3=CC(=C(C=C3C(=N2)C)C)C

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)OCCSC2=NC3=CC(=C(C=C3C(=N2)C)C)C

InChI

InChI=1S/C21H22N2O2S/c1-13-6-5-7-17(10-13)20(24)25-8-9-26-21-22-16(4)18-11-14(2)15(3)12-19(18)23-21/h5-7,10-12H,8-9H2,1-4H3