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

Systemtic Name: methyl 2-[4-(2-butylsulfanyl-4-oxidanylidene-quinazolin-3-yl)phenyl]ethanoate Openeye Name: methyl 2-[4-(2-butylsulfanyl-4-oxo-quinazolin-3-yl)phenyl]acetate CAS Name: 2-[4-[2-(butylthio)-4-oxo-3-quinazolinyl]phenyl]acetic acid methyl ester IUPAC Name: methyl 2-[4-(2-butylsulfanyl-4-oxoquinazolin-3-yl)phenyl]acetate Traditional Name: 2-[4-[2-(butylthio)-4-keto-quinazolin-3-yl]phenyl]acetic acid methyl ester Formula: C21H22N2O3S MolecularWeight: 382.47598

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22N2O3S/c1-3-4-13-27-21-22-18-8-6-5-7-17(18)20(25)23(21)16-11-9-15(10-12-16)14-19(24)26-2/h5-12H,3-4,13-14H2,1-2H3