methyl 4-methyl-2-[(4-oxidanylidene-3-propan-2-yl-quinazolin-2-yl)sulfanylmethyl]quinoline-3-carboxylate

Systemtic Name: methyl 4-methyl-2-[(4-oxidanylidene-3-propan-2-yl-quinazolin-2-yl)sulfanylmethyl]quinoline-3-carboxylate Openeye Name: methyl 2-[(3-isopropyl-4-oxo-quinazolin-2-yl)sulfanylmethyl]-4-methyl-quinoline-3-carboxylate CAS Name: 4-methyl-2-[[(4-oxo-3-propan-2-yl-2-quinazolinyl)thio]methyl]-3-quinolinecarboxylic acid methyl ester IUPAC Name: methyl 4-methyl-2-[(4-oxo-3-propan-2-ylquinazolin-2-yl)sulfanylmethyl]quinoline-3-carboxylate Traditional Name: 2-[[(3-isopropyl-4-keto-quinazolin-2-yl)thio]methyl]-4-methyl-quinoline-3-carboxylic acid methyl ester Formula: C24H23N3O3S MolecularWeight: 433.52272

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC2=CC=CC=C12)CSC3=NC4=CC=CC=C4C(=O)N3C(C)C)C(=O)OC

Isomeric SMILES

CC1=C(C(=NC2=CC=CC=C12)CSC3=NC4=CC=CC=C4C(=O)N3C(C)C)C(=O)OC

InChI

InChI=1S/C24H23N3O3S/c1-14(2)27-22(28)17-10-6-8-12-19(17)26-24(27)31-13-20-21(23(29)30-4)15(3)16-9-5-7-11-18(16)25-20/h5-12,14H,13H2,1-4H3