methyl 2-(1,2-oxazol-3-ylmethylsulfanyl)-4-oxidanylidene-3-phenyl-quinazoline-7-carboxylate

Systemtic Name: methyl 2-(1,2-oxazol-3-ylmethylsulfanyl)-4-oxidanylidene-3-phenyl-quinazoline-7-carboxylate Openeye Name: methyl 2-(isoxazol-3-ylmethylsulfanyl)-4-oxo-3-phenyl-quinazoline-7-carboxylate CAS Name: 2-(3-isoxazolylmethylthio)-4-oxo-3-phenyl-7-quinazolinecarboxylic acid methyl ester IUPAC Name: methyl 2-(1,2-oxazol-3-ylmethylsulfanyl)-4-oxo-3-phenylquinazoline-7-carboxylate Traditional Name: 2-(isoxazol-3-ylmethylthio)-4-keto-3-phenyl-quinazoline-7-carboxylic acid methyl ester Formula: C20H15N3O4S MolecularWeight: 393.4158

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)C(=O)N(C(=N2)SCC3=NOC=C3)C4=CC=CC=C4

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)C(=O)N(C(=N2)SCC3=NOC=C3)C4=CC=CC=C4

InChI

InChI=1S/C20H15N3O4S/c1-26-19(25)13-7-8-16-17(11-13)21-20(28-12-14-9-10-27-22-14)23(18(16)24)15-5-3-2-4-6-15/h2-11H,12H2,1H3