methyl 4-[(2-methylquinazolin-4-yl)sulfanylmethyl]benzoate

Systemtic Name: methyl 4-[(2-methylquinazolin-4-yl)sulfanylmethyl]benzoate Openeye Name: methyl 4-[(2-methylquinazolin-4-yl)sulfanylmethyl]benzoate CAS Name: 4-[[(2-methyl-4-quinazolinyl)thio]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(2-methylquinazolin-4-yl)sulfanylmethyl]benzoate Traditional Name: 4-[[(2-methylquinazolin-4-yl)thio]methyl]benzoic acid methyl ester Formula: C18H16N2O2S MolecularWeight: 324.39684

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC=CC=C2C(=N1)SCC3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

CC1=NC2=CC=CC=C2C(=N1)SCC3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C18H16N2O2S/c1-12-19-16-6-4-3-5-15(16)17(20-12)23-11-13-7-9-14(10-8-13)18(21)22-2/h3-10H,11H2,1-2H3