methyl 3-[(2-chlorophenyl)methyl]-2-[1-(dimethylamino)-1-oxidanylidene-propan-2-yl]sulfanyl-4-oxidanylidene-quinazoline-7-carboxylate

Systemtic Name: methyl 3-[(2-chlorophenyl)methyl]-2-[1-(dimethylamino)-1-oxidanylidene-propan-2-yl]sulfanyl-4-oxidanylidene-quinazoline-7-carboxylate Openeye Name: methyl 3-[(2-chlorophenyl)methyl]-2-[2-(dimethylamino)-1-methyl-2-oxo-ethyl]sulfanyl-4-oxo-quinazoline-7-carboxylate CAS Name: 3-[(2-chlorophenyl)methyl]-2-[[1-(dimethylamino)-1-oxopropan-2-yl]thio]-4-oxo-7-quinazolinecarboxylic acid methyl ester IUPAC Name: methyl 3-[(2-chlorophenyl)methyl]-2-[1-(dimethylamino)-1-oxopropan-2-yl]sulfanyl-4-oxoquinazoline-7-carboxylate Traditional Name: 3-(2-chlorobenzyl)-2-[[2-(dimethylamino)-2-keto-1-methyl-ethyl]thio]-4-keto-quinazoline-7-carboxylic acid methyl ester Formula: C22H22ClN3O4S MolecularWeight: 459.94578

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N(C)C)SC1=NC2=C(C=CC(=C2)C(=O)OC)C(=O)N1CC3=CC=CC=C3Cl

Isomeric SMILES

CC(C(=O)N(C)C)SC1=NC2=C(C=CC(=C2)C(=O)OC)C(=O)N1CC3=CC=CC=C3Cl

InChI

InChI=1S/C22H22ClN3O4S/c1-13(19(27)25(2)3)31-22-24-18-11-14(21(29)30-4)9-10-16(18)20(28)26(22)12-15-7-5-6-8-17(15)23/h5-11,13H,12H2,1-4H3