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

Systemtic Name: methyl 2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]-4-oxidanylidene-3-phenethyl-quinazoline-7-carboxylate Openeye Name: methyl 2-[(5-methylisoxazol-3-yl)methylsulfanyl]-4-oxo-3-phenethyl-quinazoline-7-carboxylate CAS Name: 2-[(5-methyl-3-isoxazolyl)methylthio]-4-oxo-3-phenethyl-7-quinazolinecarboxylic acid methyl ester IUPAC Name: methyl 2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]-4-oxo-3-phenethylquinazoline-7-carboxylate Traditional Name: 4-keto-2-[(5-methylisoxazol-3-yl)methylthio]-3-phenethyl-quinazoline-7-carboxylic acid methyl ester Formula: C23H21N3O4S MolecularWeight: 435.49554

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)CSC2=NC3=C(C=CC(=C3)C(=O)OC)C(=O)N2CCC4=CC=CC=C4

Isomeric SMILES

CC1=CC(=NO1)CSC2=NC3=C(C=CC(=C3)C(=O)OC)C(=O)N2CCC4=CC=CC=C4

InChI

InChI=1S/C23H21N3O4S/c1-15-12-18(25-30-15)14-31-23-24-20-13-17(22(28)29-2)8-9-19(20)21(27)26(23)11-10-16-6-4-3-5-7-16/h3-9,12-13H,10-11,14H2,1-2H3