methyl 3-[2-[[4-(2-cyanophenyl)phenyl]methylsulfanyl]-4-oxidanylidene-quinazolin-3-yl]propanoate

Systemtic Name: methyl 3-[2-[[4-(2-cyanophenyl)phenyl]methylsulfanyl]-4-oxidanylidene-quinazolin-3-yl]propanoate Openeye Name: methyl 3-[2-[[4-(2-cyanophenyl)phenyl]methylsulfanyl]-4-oxo-quinazolin-3-yl]propanoate CAS Name: 3-[2-[[4-(2-cyanophenyl)phenyl]methylthio]-4-oxo-3-quinazolinyl]propanoic acid methyl ester IUPAC Name: methyl 3-[2-[[4-(2-cyanophenyl)phenyl]methylsulfanyl]-4-oxoquinazolin-3-yl]propanoate Traditional Name: 3-[2-[[4-(2-cyanophenyl)benzyl]thio]-4-keto-quinazolin-3-yl]propionic acid methyl ester Formula: C26H21N3O3S MolecularWeight: 455.52824

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCN1C(=O)C2=CC=CC=C2N=C1SCC3=CC=C(C=C3)C4=CC=CC=C4C#N

Isomeric SMILES

COC(=O)CCN1C(=O)C2=CC=CC=C2N=C1SCC3=CC=C(C=C3)C4=CC=CC=C4C#N

InChI

InChI=1S/C26H21N3O3S/c1-32-24(30)14-15-29-25(31)22-8-4-5-9-23(22)28-26(29)33-17-18-10-12-19(13-11-18)21-7-3-2-6-20(21)16-27/h2-13H,14-15,17H2,1H3