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

Systemtic Name: methyl 2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]-4-oxidanylidene-3-phenyl-quinazoline-7-carboxylate Openeye Name: methyl 2-[(5-methylisoxazol-3-yl)methylsulfanyl]-4-oxo-3-phenyl-quinazoline-7-carboxylate CAS Name: 2-[(5-methyl-3-isoxazolyl)methylthio]-4-oxo-3-phenyl-7-quinazolinecarboxylic acid methyl ester IUPAC Name: methyl 2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]-4-oxo-3-phenylquinazoline-7-carboxylate Traditional Name: 4-keto-2-[(5-methylisoxazol-3-yl)methylthio]-3-phenyl-quinazoline-7-carboxylic acid methyl ester Formula: C21H17N3O4S MolecularWeight: 407.44238

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)CSC2=NC3=C(C=CC(=C3)C(=O)OC)C(=O)N2C4=CC=CC=C4

Isomeric SMILES

CC1=CC(=NO1)CSC2=NC3=C(C=CC(=C3)C(=O)OC)C(=O)N2C4=CC=CC=C4

InChI

InChI=1S/C21H17N3O4S/c1-13-10-15(23-28-13)12-29-21-22-18-11-14(20(26)27-2)8-9-17(18)19(25)24(21)16-6-4-3-5-7-16/h3-11H,12H2,1-2H3