methyl 3-[(2-chlorophenyl)methyl]-2-[(3-methyl-1,2-oxazol-5-yl)methylsulfanyl]-4-oxidanylidene-quinazoline-7-carboxylate

Systemtic Name: methyl 3-[(2-chlorophenyl)methyl]-2-[(3-methyl-1,2-oxazol-5-yl)methylsulfanyl]-4-oxidanylidene-quinazoline-7-carboxylate Openeye Name: methyl 3-[(2-chlorophenyl)methyl]-2-[(3-methylisoxazol-5-yl)methylsulfanyl]-4-oxo-quinazoline-7-carboxylate CAS Name: 3-[(2-chlorophenyl)methyl]-2-[(3-methyl-5-isoxazolyl)methylthio]-4-oxo-7-quinazolinecarboxylic acid methyl ester IUPAC Name: methyl 3-[(2-chlorophenyl)methyl]-2-[(3-methyl-1,2-oxazol-5-yl)methylsulfanyl]-4-oxoquinazoline-7-carboxylate Traditional Name: 3-(2-chlorobenzyl)-4-keto-2-[(3-methylisoxazol-5-yl)methylthio]quinazoline-7-carboxylic acid methyl ester Formula: C22H18ClN3O4S MolecularWeight: 455.91402

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NOC(=C1)CSC2=NC3=C(C=CC(=C3)C(=O)OC)C(=O)N2CC4=CC=CC=C4Cl

Isomeric SMILES

CC1=NOC(=C1)CSC2=NC3=C(C=CC(=C3)C(=O)OC)C(=O)N2CC4=CC=CC=C4Cl

InChI

InChI=1S/C22H18ClN3O4S/c1-13-9-16(30-25-13)12-31-22-24-19-10-14(21(28)29-2)7-8-17(19)20(27)26(22)11-15-5-3-4-6-18(15)23/h3-10H,11-12H2,1-2H3