methyl 4-methyl-2-[(2-methylquinazolin-4-yl)sulfanylmethyl]quinoline-3-carboxylate

Systemtic Name: methyl 4-methyl-2-[(2-methylquinazolin-4-yl)sulfanylmethyl]quinoline-3-carboxylate Openeye Name: methyl 4-methyl-2-[(2-methylquinazolin-4-yl)sulfanylmethyl]quinoline-3-carboxylate CAS Name: 4-methyl-2-[[(2-methyl-4-quinazolinyl)thio]methyl]-3-quinolinecarboxylic acid methyl ester IUPAC Name: methyl 4-methyl-2-[(2-methylquinazolin-4-yl)sulfanylmethyl]quinoline-3-carboxylate Traditional Name: 4-methyl-2-[[(2-methylquinazolin-4-yl)thio]methyl]quinoline-3-carboxylic acid methyl ester Formula: C22H19N3O2S MolecularWeight: 389.47016

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC2=CC=CC=C12)CSC3=NC(=NC4=CC=CC=C43)C)C(=O)OC

Isomeric SMILES

CC1=C(C(=NC2=CC=CC=C12)CSC3=NC(=NC4=CC=CC=C43)C)C(=O)OC

InChI

InChI=1S/C22H19N3O2S/c1-13-15-8-4-6-10-17(15)25-19(20(13)22(26)27-3)12-28-21-16-9-5-7-11-18(16)23-14(2)24-21/h4-11H,12H2,1-3H3