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

Systemtic Name: methyl 2-[4-[4-oxidanylidene-2-(phenylmethylsulfanyl)quinazolin-3-yl]phenyl]propanoate Openeye Name: methyl 2-[4-(2-benzylsulfanyl-4-oxo-quinazolin-3-yl)phenyl]propanoate CAS Name: 2-[4-[4-oxo-2-(phenylmethylthio)-3-quinazolinyl]phenyl]propanoic acid methyl ester IUPAC Name: methyl 2-[4-(2-benzylsulfanyl-4-oxoquinazolin-3-yl)phenyl]propanoate Traditional Name: 2-[4-[2-(benzylthio)-4-keto-quinazolin-3-yl]phenyl]propionic acid methyl ester Formula: C25H22N2O3S MolecularWeight: 430.51878

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC4=CC=CC=C4)C(=O)OC

Isomeric SMILES

CC(C1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC4=CC=CC=C4)C(=O)OC

InChI

InChI=1S/C25H22N2O3S/c1-17(24(29)30-2)19-12-14-20(15-13-19)27-23(28)21-10-6-7-11-22(21)26-25(27)31-16-18-8-4-3-5-9-18/h3-15,17H,16H2,1-2H3