hexadecyl 4-(3-butyl-4-oxidanylidene-quinazolin-2-yl)sulfanyl-4-oxidanylidene-butanoate

Systemtic Name: hexadecyl 4-(3-butyl-4-oxidanylidene-quinazolin-2-yl)sulfanyl-4-oxidanylidene-butanoate Openeye Name: hexadecyl 4-(3-butyl-4-oxo-quinazolin-2-yl)sulfanyl-4-oxo-butanoate CAS Name: 4-[(3-butyl-4-oxo-2-quinazolinyl)thio]-4-oxobutanoic acid hexadecyl ester IUPAC Name: hexadecyl 4-(3-butyl-4-oxoquinazolin-2-yl)sulfanyl-4-oxobutanoate Traditional Name: 4-[(3-butyl-4-keto-quinazolin-2-yl)thio]-4-keto-butyric acid cetyl ester Formula: C32H50N2O4S MolecularWeight: 558.8154

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOC(=O)CCC(=O)SC1=NC2=CC=CC=C2C(=O)N1CCCC

Isomeric SMILES

CCCCCCCCCCCCCCCCOC(=O)CCC(=O)SC1=NC2=CC=CC=C2C(=O)N1CCCC

InChI

InChI=1S/C32H50N2O4S/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-20-26-38-29(35)23-24-30(36)39-32-33-28-22-19-18-21-27(28)31(37)34(32)25-6-4-2/h18-19,21-22H,3-17,20,23-26H2,1-2H3