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

Systemtic Name: methyl 2-[4-(2-butylsulfanyl-4-oxidanylidene-quinazolin-3-yl)phenyl]propanoate Openeye Name: methyl 2-[4-(2-butylsulfanyl-4-oxo-quinazolin-3-yl)phenyl]propanoate CAS Name: 2-[4-[2-(butylthio)-4-oxo-3-quinazolinyl]phenyl]propanoic acid methyl ester IUPAC Name: methyl 2-[4-(2-butylsulfanyl-4-oxoquinazolin-3-yl)phenyl]propanoate Traditional Name: 2-[4-[2-(butylthio)-4-keto-quinazolin-3-yl]phenyl]propionic acid methyl ester Formula: C22H24N2O3S MolecularWeight: 396.50256

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSC1=NC2=CC=CC=C2C(=O)N1C3=CC=C(C=C3)C(C)C(=O)OC

Isomeric SMILES

CCCCSC1=NC2=CC=CC=C2C(=O)N1C3=CC=C(C=C3)C(C)C(=O)OC

InChI

InChI=1S/C22H24N2O3S/c1-4-5-14-28-22-23-19-9-7-6-8-18(19)20(25)24(22)17-12-10-16(11-13-17)15(2)21(26)27-3/h6-13,15H,4-5,14H2,1-3H3